SCHEMBL1104865

SCHEMBL1104865

Brc1cc2c3ccccc3c3ccccc3c2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 1/20 0.40
RCE1 Q9Y256 1/20 0.40
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
PRNP P04156 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2C9 P11712 1/20 0.37
HKDC1 Q2TB90 1/20 0.36
CASP6 P55212 2/20 0.35
HSP90AA1 P07900 2/20 0.32
CASP7 P55210 1/20 0.32
CASP8 Q14790 1/20 0.32

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
SCHEMBL4903130 0.95 ALDH1A1 (0.40) ALDH1A1CYP1A2HPGDHSD17B10THRB
SCHEMBL14328241 0.87 MEN1 (0.41) ALDH1A1CYP1A2HPGDHSD17B10THRB
SCHEMBL31533202 0.86 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDHSD17B10RCE1
SCHEMBL29558067 0.86 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDHSD17B10RCE1
SCHEMBL349252 0.86 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDHSD17B10RCE1
Methane SCHEMBL28982422 0.83 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDRCE1HTT
SCHEMBL14478688 0.81 HTT (0.49) ALDH1A1CYP1A2HPGDHTTMEN1
SCHEMBL1373855 0.79 CYP2D6 (0.43) ALDH1A1CYP1A2HPGDHSD17B10THRB
SCHEMBL2627612 0.78 CHEK1 (0.47) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL31406990 0.77 HPRT1 (0.38) ALDH1A1CYP1A2HPGDHSD17B10THRB

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 82 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-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-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
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
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009067-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009067-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US 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 (7 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-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RFT1, RAE1 ALDH1A1 261/4885CYP1A2 687/4885HPGD 3899/4885
US-10454045-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, PIEZO1, TRPC6 ALDH1A1 1848/4885CYP1A2 3355/4885HPGD 2723/4885
US-20190198781-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, PIEZO1, TRPC6 ALDH1A1 1848/4885CYP1A2 3355/4885HPGD 2723/4885
US-10461258-B2 Compound CYP19A1, CYP17A1, CYP51A1 ALDH1A1 790/4885CYP1A2 13/4885HPGD 3801/4885
US-10211404-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device PIEZO1, TERT, TPR ALDH1A1 1102/4885CYP1A2 2511/4885HPGD 3410/4885
US-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KSR1, NRAS, RSU1 ALDH1A1 466/4885CYP1A2 3166/4885HPGD 4065/4885
US-20190006601-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES CONTAINING THEM SLC39A11, S100A11, SLC29A1 ALDH1A1 1370/4885CYP1A2 1165/4885HPGD 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.