SCHEMBL9290111

SCHEMBL9290111

CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.46
▸ USP2 O75604 2/20 0.45
▸ CFTR P13569 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ GOPC Q9HD26 1/20 0.45
▸ TSHR P16473 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ FPR2 P25090 4/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL22292200 0.88 USP2 (0.55) ABCB1USP2CFTRPAX8ATM
Hydrochloric Acid SCHEMBL29539118 0.88 USP2 (0.54) ABCB1USP2CFTRPAX8ATM
SCHEMBL15942633 0.85 ABCB1 (0.43) ABCB1USP2CFTRPAX8ATM
SCHEMBL12763951 0.85 POLB (0.50) ABCB1USP2CFTRPAX8ATM
SCHEMBL13428258 0.85 USP2 (0.53) ABCB1USP2CFTRPAX8ATM
SCHEMBL18350813 0.85 USP2 (0.53) ABCB1USP2CFTRPAX8ATM
SCHEMBL14667860 0.85 USP2 (0.53) ABCB1USP2CFTRPAX8ATM
Hydrochloric Acid SCHEMBL29557664 0.84 USP2 (0.53) ABCB1USP2CFTRPAX8ATM
SCHEMBL12763953 0.84 MEN1 (0.44) ABCB1USP2CFTRPAX8ATM
SCHEMBL10124264 0.83 USP2 (0.56) ABCB1USP2CFTRPAX8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136338-A1 IMMUNOLOGIC COMPOUNDS FOR PREVENTION, PROTECTION, PROPHYLAXIS OR TREATMENT OF IMMUNOLOGICAL DISORDERS, INFECTIONS AND CANCER UNIVERSITE DE MONTREAL (CA) 2012-05-31 — — 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-20120136338-A1 IMMUNOLOGIC COMPOUNDS FOR PREVENTION, PROTECTION, PROPHYLAXIS OR TREATMENT OF IMMUNOLOGICAL DISORDERS, INFECTIONS AND CANCER HLA-DRB1, CD74, HLA-C ABCB1 709/4885USP2 3909/4885CFTR 927/4885

“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.

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