SCHEMBL18612985

SCHEMBL18612985

COc1cc(OC)cc(N(C)C(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
HSD17B2 P37059 2/20 0.41
HSD17B1 P14061 1/20 0.41
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RXRA P19793 1/20 0.39
NPC1 O15118 1/20 0.38
AHR P35869 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
SCHEMBL18593560 0.89 TSPO (0.48) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL29460229 0.83 ALDH1A1 (0.46) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL5333390 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL31034446 0.82 ALDH1A1 (0.44) ALDH1A1KMT2APOLBHSD17B2HSD17B1
SCHEMBL11027897 0.81 HSD17B2 (0.61) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL17460819 0.80 HSP90AA1 (0.50) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL2537515 0.79 ALDH1A1 (0.71) ALDH1A1HTTKMT2APOLBSMN1; SMN2
SCHEMBL16665268 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL3122515 0.76 ALDH1A1 (0.46) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL18612984 0.76 LMNA (0.50) ALDH1A1HTTTSHRPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057943-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2018-04-25 EP disclosed
US-20170067168-A1 PORPHYRIN MOLECULAR CATALYSTS FOR SELECTIVE ELECTROCHEMICAL REDUCTION OF CO2 INTO CO CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-03-09 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-20170067168-A1 PORPHYRIN MOLECULAR CATALYSTS FOR SELECTIVE ELECTROCHEMICAL REDUCTION OF CO2 INTO CO CYC1, MT-CO2, MT-CO1 ALDH1A1 3714/4885HTT 2347/4885KMT2A 2943/4885

“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.