SCHEMBL3420860

SCHEMBL3420860

Brc1cccc2ccc3c4ccccc4c4ccccc4c3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.62
ALDH1A1 P00352 6/20 0.62
HPGD P15428 5/20 0.62
CYP1A2 P05177 3/20 0.62
THRB P10828 1/20 0.62
ERBB2 P04626 1/20 0.50
FYN P06241 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
AHR P35869 1/20 0.50
HPRT1 P00492 3/20 0.48
TSHR P16473 6/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
CYP2A6 P11509 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27105533 0.89 HSD17B10 (0.60) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL31108073 0.89 HSD17B10 (0.60) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL31006766 0.85 HSD17B10 (0.67) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL12200678 0.85 HSD17B10 (0.67) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL1373385 0.84 ALDH1A1 (0.58) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL30065106 0.84 ALDH1A1 (0.58) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL29405571 0.83 ALDH1A1 (0.59) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL28357450 0.83 ALDH1A1 (0.59) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL27996172 0.82 ALDH1A1 (0.48) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL662611 0.82 ALDH1A1 (0.54) HSD17B10ALDH1A1HPGDCYP1A2THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778281-A Compound and application thereof 北京鼎材科技有限公司 2021-05-11 CN disclosed
US-10461258-B2 Compound IDEMITSU KOSAN CO., LTD. (JP) 2019-10-29 US disclosed
US-10454045-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-10-22 US disclosed
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 US disclosed
EP-3394062-B1 HETERO-CONDENSED PHENYLQUINAZOLINES AND THEIR USE IN ELECTRONIC DEVICES IDEMITSU KOSAN CO (JP) 2019-10-02 EP disclosed
US-20190198781-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2019-06-27 US disclosed
US-10211404-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-02-19 US disclosed
US-20190006601-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES CONTAINING THEM IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 US disclosed
EP-2524913-B1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO (JP) 2017-07-26 EP disclosed
EP-3192789-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2017-07-19 EP disclosed
US-8253129-B2 Benzochrysene derivative and an organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-08-28 US disclosed
US-8222637-B2 Benzochrysene derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-07-17 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20100327266-A1 MONOBENZOCHRYSENE DERIVATIVE, A MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE MATERIAL IDEMITSU KOSAN CO., LTD. 2010-12-30 US disclosed
US-20100320451-A1 BENZOCHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-12-23 US disclosed
US-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
EP-2216313-A1 BENZOCHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-11 EP disclosed
EP-2213640-A1 BENZOCHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-04 EP disclosed
EP-2213639-A1 MONOBENZOCHRYSENE DERIVATIVE, ORGANIC ELECTROLUMINESCENT DEVICE MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE ORGANIC ELECTROLUMINESCENT DEVICE MATERIAL Idemitsu Kosan Co., Ltd. (JP) 2010-08-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100327266-A1 MONOBENZOCHRYSENE DERIVATIVE, A MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE MATERIAL MCM4, CCKBR, CD99 HSD17B10 1410/4885ALDH1A1 1222/4885HPGD 2805/4885
US-10454045-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, PIEZO1, TRPC6 HSD17B10 4340/4885ALDH1A1 1848/4885HPGD 2723/4885
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 HSD17B10 1952/4885ALDH1A1 191/4885HPGD 2787/4885
US-20190198781-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, PIEZO1, TRPC6 HSD17B10 4340/4885ALDH1A1 1848/4885HPGD 2723/4885
US-10461258-B2 Compound CYP19A1, CYP17A1, CYP51A1 HSD17B10 667/4885ALDH1A1 790/4885HPGD 3801/4885
US-20100320451-A1 BENZOCHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NRAS, KSR1, RSU1 HSD17B10 3417/4885ALDH1A1 419/4885HPGD 3168/4885
US-10211404-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device PIEZO1, TERT, TPR HSD17B10 3179/4885ALDH1A1 1102/4885HPGD 3410/4885
US-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KSR1, NRAS, RSU1 HSD17B10 4063/4885ALDH1A1 466/4885HPGD 4065/4885
US-20190006601-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES CONTAINING THEM SLC39A11, S100A11, SLC29A1 HSD17B10 3413/4885ALDH1A1 1370/4885HPGD 543/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.