SCHEMBL10239573

SCHEMBL10239573

COC(=O)c1ccc(OC)c(C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
KMT2A Q03164 4/20 0.53
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
MEN1 O00255 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL30842512 0.86 MAPT (0.58) MAPTKMT2AMEN1CA1CA2
SCHEMBL18212635 0.86 MAPT (0.58) MAPTKMT2AMEN1CA1CA2
SCHEMBL4695867 0.84 CA12 (0.65) PTGS1PTGS2CA1CA2CA12
SCHEMBL1105482 0.84 ALDH1A1 (0.51) MAPTKMT2APTGS1PTGS2MEN1
SCHEMBL23583879 0.84 HSD17B2 (0.61) MAPTKMT2AMEN1CA1CA2
SCHEMBL13220716 0.84 CA1 (0.53) MAPTKMT2AMEN1CA1CA2
SCHEMBL19651838 0.83 TLR9 (0.51) MAPTKMT2APTGS1PTGS2CYP2C9
SCHEMBL7436393 0.83 PTGS1 (0.50) MAPTKMT2APTGS1PTGS2MEN1
SCHEMBL18090937 0.83 MAPK1 (0.59) MAPTKMT2APTGS1PTGS2MEN1
SCHEMBL7054420 0.82 RORC (0.53) MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US disclosed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO 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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 MAPT 3212/4885KMT2A 2232/4885PTGS1 210/4885

“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.