SCHEMBL6771209

SCHEMBL6771209

Cc1cc(C(=O)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.45
ALOX5 P09917 2/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR35 Q9HC97 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL11067722 0.89 CYP3A4 (0.59) TSHRCYP3A4SMN1; SMN2NPC1ALOX5
SCHEMBL9999712 0.89 CYP3A4 (0.53) TSHRCYP3A4SMN1; SMN2NPC1ALOX5
SCHEMBL16958150 0.84 TSHR (0.57) TSHRCYP3A4SMN1; SMN2NPC1ALOX5
SCHEMBL10050753 0.81 TSHR (0.63) TSHRCYP3A4SMN1; SMN2NPC1ALOX5
SCHEMBL265084 0.81 TSHR (0.63) TSHRCYP3A4SMN1; SMN2ALOX5ACHE
SCHEMBL11062715 0.81 NPC1 (0.46) TSHRCYP3A4SMN1; SMN2NPC1ALOX5
SCHEMBL6582839 0.81 CYP3A4 (0.46) TSHRCYP3A4SMN1; SMN2NPC1ALOX5
SCHEMBL7629781 0.81 SMN1; SMN2 (0.46) TSHRCYP3A4SMN1; SMN2NPC1ALOX5
SCHEMBL11069495 0.81 NPC1 (0.59) TSHRCYP3A4SMN1; SMN2NPC1ALDH1A1
SCHEMBL6577966 0.81 CYP3A4 (0.46) TSHRCYP3A4SMN1; SMN2ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683095-B2 ANTICARCINOGENIC AGENTS; ANTIPROLIFERATION AGENTS LG LIFE SCIENCES LTD. (KR) 2004-01-27 US disclosed
CN-1433410-A CDK inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES CO LTD (KR) 2003-07-30 CN disclosed
US-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES LTD. (KR) 2003-07-03 US disclosed
EP-0485984-B1 Diarylmethoxypiperidine derivatives UBE INDUSTRIES (JP) 1996-04-24 EP disclosed
US-5225559-A DIARYLMETHOXYPIPERIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1993-07-06 US disclosed
EP-0485984-A2 Diarylmethoxypiperidine derivatives UBE INDUSTRIES, LTD. (JP) 1992-05-20 EP disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 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-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure CDK4, CDK3, CDK6 TSHR 4555/4885CYP3A4 1148/4885SMN1; SMN2 4162/4885

“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.