SCHEMBL428079

SCHEMBL428079

[CH]1CCCc2c1[nH]c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BRD3 Q15059 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KIF11 P52732 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KDR P35968 1/20 0.43
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
HTR5A P47898 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
GPR3 P46089 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL28459559 0.93 MEN1 (0.45) HSD17B10MEN1KMT2ABRD3KDM4E
SCHEMBL28459535 0.93 MEN1 (0.45) HSD17B10MEN1KMT2ABRD3KDM4E
SCHEMBL28465952 0.93 MEN1 (0.45) HSD17B10MEN1KMT2ABRD3KDM4E
SCHEMBL1919190 0.89 HTR2A (0.46) HSD17B10MEN1KMT2ABRD3KDM4E
SCHEMBL296017 0.76 HSD17B10 (0.48) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL15101404 0.76 KDM4E (0.54) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL224482 0.75 MEN1 (0.47) HSD17B10MEN1KMT2ABRD3KDM4E
SCHEMBL2307927 0.74 HTR2A (0.43) HSD17B10MEN1KMT2ABRD3KDM4E
SCHEMBL481360 0.71 KDM4E (0.68) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL29936982 0.71 KDM4E (0.68) HSD17B10MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11965102-B2 Photochromic annelated naphthopyrane systems with special substituents, for attaining rapid lightening speeds RODENSTOCK GMBH (DE) 2024-04-23 US claimed
CN-112424180-B Photochromic fused naphthopyran systems with specific substituents for obtaining high lightening speeds 罗登斯托克有限责任公司 2023-12-08 CN claimed
EP-4240797-A1 COMBINATION OF SPECIFIC ANNELLATED NAPHTHOPYRANE ISOMERS Rodenstock GmbH (DE) 2023-09-13 EP claimed
WO-2023135127-A1 COMBINATION OF SPECIFIC ANNELLATED NAPHTHOPYRANE ISOMERS RODENSTOCK GMBH (DE) 2023-07-20 WO claimed
CN-115960032-A Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof 复旦大学 2023-04-14 CN claimed
EP-3925989-A1 MOLECULAR WEIGHT CONTROL OF POLYOLEFINS USING HALOGENATED BIS-PHENYLPHENOXY CATALYSTS Dow Global Technologies LLC (US) 2021-12-22 EP claimed
EP-3807258-B1 PHOTOCHROMIC ANNELATED NAPHTHOPYRANE SYSTEMS WITH SPECIAL SUBSTITUENTS, FOR ATTAINING RAPID LIGHTENING SPEEDS RODENSTOCK GMBH (DE) 2021-10-20 EP claimed
US-20210253865-A1 PHOTOCHROMIC ANNELATED NAPHTHOPYRANE SYSTEMS WITH SPECIAL SUBSTITUENTS, FOR ATTAINING RAPID LIGHTENING SPEEDS RODENSTOCK GMBH (DE) 2021-08-19 US claimed
CN-113201084-A Molecular weight control of polyolefins using halogenated bisphenylphenoxy catalysts 陶氏环球技术有限责任公司 2021-08-03 CN claimed
EP-3386511-B1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2021-05-12 EP claimed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US claimed
WO-2006128129-A2 METHOD FOR TREATING CANCER SYNTA PHARMACEUTICALS CORP. (US) 2006-11-30 WO claimed
WO-2006128172-A2 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-30 WO claimed
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US claimed
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
EP-1009740-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME Merck & Co., Inc. (US) 2000-06-21 EP claimed
US-5935968-A ADMINISTERING ANDROSTENE DERIVATIVE 5-ALPHA REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1999-08-10 US claimed
WO-1998041509-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 WO claimed
EP-0340010-B1 Heterocyclic nitromethane derivatives ICI PLC (GB) 1994-08-24 EP claimed
EP-0340010-A2 Heterocyclic nitromethane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-02 EP claimed

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

For each of this compound's patents that has machine-readable text (2 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-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 HSD17B10 497/4885MEN1 3198/4885KMT2A 3739/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 HSD17B10 3453/4885MEN1 3751/4885KMT2A 1509/4885

“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.