SCHEMBL667987

SCHEMBL667987

CC(C)(C)c1[c][nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.39
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GPR3 P46089 1/20 0.36
HPGD P15428 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
AHR P35869 2/20 0.33
ATM Q13315 2/20 0.33
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL7883670 0.79 KIF11 (0.39) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL2987901 0.71 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR3HPGDAHR
SCHEMBL546371 0.71 CYP1A2 (0.42) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL4724357 0.71 AHR (0.38) ALDH1A1HSD17B10GPR3HPGDAHR
SCHEMBL7552278 0.71 KIF11 (0.40) KIF11ALDH1A1TSHRGABRA1GABRB2
SCHEMBL1639050 0.67 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR3HPGDAHR
SCHEMBL650736 0.67 KDM4E (0.41) ALDH1A1HSD17B10GPR3HPGDAHR
SCHEMBL3849040 0.67 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR3HPGDAHR
SCHEMBL9723837 0.67 ALDH1A1 (0.40) KIF11ALDH1A1HSD17B10GPR3HPGD
SCHEMBL127256 0.67 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR3HPGDAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741145-B1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL CO (JP) 1999-12-29 EP claimed
CN-116751189-A Organic electroluminescent compound, various host materials, and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2023-09-15 CN disclosed
US-8932735-B2 Aromatic amine derivative and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-13 US disclosed
US-20130306957-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO ., LTD. (JP) 2013-11-21 US disclosed
EP-2645443-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2013-10-02 EP disclosed
EP-2423179-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-6423659-B1 π-complex compounds BAYER AKTIENGESELLSCHAFT (DE) 2002-07-23 US disclosed
EP-0971963-B1 PI-COMPLEX COMPOUNDS BAYER AG (DE) 2002-07-17 EP disclosed
US-6232413-B1 USING ORGANOMETALLIC CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
EP-0909284-A1 METHOD FOR PRODUCING THERMOPLASTIC ELASTOMERS BAYER AG (DE) 1999-04-21 EP disclosed
WO-1998045339-A1 π-COMPLEX COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed
WO-1998001487-A9 METHOD FOR PRODUCING ELASTOMERS 1998-07-02 WO disclosed
WO-1998001483-A9 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR USE IN OPTICAL DATA MEMORIES 1998-05-14 WO disclosed
WO-1998001484-A9 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR TECHNICAL APPLICATIONS 1998-05-07 WO disclosed
WO-1998001486-A1 METHOD FOR PRODUCING THERMOPLASTIC ELASTOMERS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
WO-1998001483-A1 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR USE IN OPTICAL DATA MEMORIES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
WO-1998001485-A1 METHOD FOR PRODUCING HIGH MELTING-POINT POLYOLEFINS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
WO-1998001484-A1 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR TECHNICAL APPLICATIONS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
EP-0741145-A1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-06 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 (1 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-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AOC2, AOC3, H1-4 KIF11 2764/4885ALDH1A1 785/4885HSD17B10 3870/4885

“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.