SCHEMBL2754652

SCHEMBL2754652

CC(C)(C=O)Cc1cc[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CAPN1 P07384 1/20 0.38
TP53 P04637 1/20 0.30

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
SCHEMBL5962280 0.77 ESR1 (0.43) MEN1ALDH1A1KMT2ACAPN1
SCHEMBL27656915 0.76 CAPN1 (0.39) ALDH1A1CYP3A4MAPK1KMT2ACAPN1
SCHEMBL19401215 0.72 CAPN1 (0.36) CYP1A2CYP3A4CYP2D6CAPN1
SCHEMBL4560927 0.72 CAPN1 (0.44) MEN1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL96457 0.71 TAAR1 (0.52) TSHRMEN1USP2ALDH1A1CYP1A2
SCHEMBL2754650 0.70
SCHEMBL1698031 0.69 TSHR (0.53) TSHRMEN1USP2ALDH1A1CYP1A2
SCHEMBL1216706 0.69 TSHR (0.47) TSHRMEN1USP2ALDH1A1CYP1A2
SCHEMBL111724 0.69 ALDH1A1 (0.47) TSHRMEN1USP2ALDH1A1CYP1A2
SCHEMBL11217036 0.69 MEN1 (0.41) TSHRMEN1USP2ALDH1A1CYP1A2

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-20120003712-A1 METHOD FOR PREPARING A SITE-SPECIFIC PHYSIOLOGICALLY ACTIVE POLYPEPTIDE CONJUGATE HANMI HOLDINGS CO., LTD. (KR) 2012-01-05 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-20120003712-A1 METHOD FOR PREPARING A SITE-SPECIFIC PHYSIOLOGICALLY ACTIVE POLYPEPTIDE CONJUGATE VIP, LNPEP, DNPEP TSHR 243/4885MEN1 651/4885USP2 2388/4885

“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.