SCHEMBL3155441

SCHEMBL3155441

Nc1ccc(CC2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.50
LTA4H P09960 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
EPHX1 P07099 1/20 0.44
HTR6 P50406 1/20 0.43
GFER P55789 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LOXL2 Q9Y4K0 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
SCHEMBL7438487 0.98 NFE2L2 (0.47) NFE2L2LTA4HMEN1KMT2AHRH3
SCHEMBL7446113 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1HTR6GFER
SCHEMBL23314833 0.88 GBA1 (0.50) NFE2L2MEN1KMT2A
SCHEMBL10229753 0.83 LTA4H (0.46) LTA4HHRH3LOXL2
SCHEMBL21767250 0.81 ALDH1A1 (0.44) NFE2L2LTA4HMEN1KMT2AHRH3
SCHEMBL40077 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1HTR6GFER
Hydrochloric Acid SCHEMBL507883 0.81 LTA4H (0.45) LTA4HHRH3LOXL2
Ammonia Solution, Strong SCHEMBL14343979 0.79 MEN1 (0.43) MEN1KMT2AALDH1A1HTR6GFER
SCHEMBL2627277 0.79 MEN1 (0.43) MEN1KMT2AALDH1A1HTR6GFER
SCHEMBL1264017 0.79 GBA1 (0.66) MEN1KMT2AHRH3ALDH1A1HTR6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003793-A Polyamide-imide film and preparation method thereof 株洲时代华昇新材料技术有限公司 2023-04-25 CN claimed
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
WO-2023081637-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
CN-111133019-A Block copolymer, resin composition, coating film, resin film, OLED element, light-emitting device, and method for producing block copolymer 捷恩智株式会社 2020-05-08 CN disclosed
CN-106946741-B A kind of preparation method of dicyclohexyl methyl hydride diisocyanate 万华化学集团股份有限公司 2018-12-07 CN disclosed
CN-106946741-A A kind of preparation method of dicyclohexyl methyl hydride diisocyanate 万华化学集团股份有限公司 2017-07-14 CN disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO 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 (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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 NFE2L2 1948/4885LTA4H 3854/4885MEN1 3601/4885
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE EGFR, ERBB2, CBL NFE2L2 1898/4885LTA4H 4049/4885MEN1 3480/4885

“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.