SCHEMBL8041868

SCHEMBL8041868

N[C]1CC=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
PTPRC P08575 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35
RECQL P46063 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
SCHEMBL7214854 0.76 ALDH1A1 (0.38) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL29422894 0.73 ALDH1A1 (0.35) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL29569948 0.73 ALDH1A1 (0.35) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL30041234 0.73 ALDH1A1 (0.35) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL219752 0.73 TSHR (0.36) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL2926382 0.73 ALDH1A1 (0.35) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL2324920 0.73 ALDH1A1 (0.35) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL2926757 0.73 ALDH1A1 (0.35) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL5894113 0.73 ALDH1A1 (0.35) HTR6ALDH1A1HSD17B10MEN1LMNA
SCHEMBL1941287 0.73 ALDH1A1 (0.40) HTR6ALDH1A1HSD17B10MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
US-20230127304-A1 NEW INHIBITORS FOR THE KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 US disclosed
US-20170306092-A1 BENZOXAZINE COMPOUND NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-10-26 US disclosed
US-6158488-A Rubber composition containing modified carbon black and article having component thereof THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-12-12 US disclosed
EP-0992535-A1 Rubber composition containing silanol modified carbon black THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-04-12 EP disclosed
US-4534908-A Water-soluble disazo compounds and new bis-(aminophenoxy)-ethane compounds having fiber-reactive groups as the tetrazo components, and use of the disazo compounds as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-13 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 (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-20230127304-A1 NEW INHIBITORS FOR THE KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, HMOX1, NFE2L2 HTR6 4227/4885ALDH1A1 1402/4885HSD17B10 764/4885

“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.