SCHEMBL126673

SCHEMBL126673

c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
GPR3 P46089 1/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
S1PR4 O95977 5/20 0.37
S1PR5 Q9H228 5/20 0.37
ALOX5 P09917 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35

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
SCHEMBL125871 1.00 HSD17B1 (0.42) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL124754 1.00 HSD17B1 (0.42) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL17945715 0.97 HSD17B1 (0.41) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL10442337 0.97 HSD17B1 (0.41) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL12578215 0.97 HSD17B1 (0.41) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL17944606 0.97 HSD17B1 (0.41) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL124768 0.97 HSD17B1 (0.41) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL17945484 0.96 HSD17B1 (0.40) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL17343206 0.95 GPR3 (0.45) HSD17B1HSD17B2GPR3ESR1ESR2
SCHEMBL24342993 0.95 HSD17B1 (0.39) HSD17B1HSD17B2GPR3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301175-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-09-21 US disclosed
US-20230301175-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-09-21 US disclosed
US-20220223793-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2022-07-14 US disclosed
US-11365167-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
US-20220029097-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2022-01-27 US disclosed
US-11024806-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2021-06-01 US disclosed
US-20200259087-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2020-08-13 US disclosed
US-10686137-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2020-06-16 US disclosed
US-10566541-B2 Aromatic amine derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2020-02-18 US disclosed
US-10388885-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2019-08-20 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
EP-2423179-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-02-29 EP disclosed
EP-2423206-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-02-29 EP disclosed
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-02-23 US disclosed
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-02-23 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 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 (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-20220029097-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AR, H1-4, AFF4 HSD17B1 2423/4885HSD17B2 2160/4885GPR3 989/4885
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AOC2, AOC3, H1-4 HSD17B1 3408/4885HSD17B2 2899/4885GPR3 1447/4885
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AR, H1-4, AFF4 HSD17B1 2851/4885HSD17B2 2535/4885GPR3 1171/4885
US-20200259087-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AR, H1-4, AFF4 HSD17B1 2423/4885HSD17B2 2160/4885GPR3 989/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 HSD17B1 3835/4885HSD17B2 3517/4885GPR3 797/4885
US-11024806-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same AR, H1-4, AFF4 HSD17B1 2423/4885HSD17B2 2160/4885GPR3 989/4885
US-10686137-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same AR, H1-4, AFF4 HSD17B1 2423/4885HSD17B2 2160/4885GPR3 989/4885
US-11365167-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM HSD17B1 1548/4885HSD17B2 1864/4885GPR3 4042/4885
US-20220223793-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, DRD1 HSD17B1 452/4885HSD17B2 528/4885GPR3 3106/4885

“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.