SCHEMBL399295

SCHEMBL399295

C=C(C)C1=C[C@H](OC(C)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.34
CES2 O00748 1/20 0.34
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CHRM1 P11229 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
CA12 O43570 2/20 0.31

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
SCHEMBL23273202 0.84 OAT (0.42) CYP19A1TSHRLMNACES2CYP3A4
SCHEMBL13677451 0.81 CYP19A1 (0.36) CYP19A1LMNACYP3A4CYP2C9MAPK1
SCHEMBL4266335 0.77 CYP19A1 (0.40) CYP19A1TSHRLMNAALOX15CYP3A4
SCHEMBL13677475 0.77 CYP19A1 (0.40) CYP19A1TSHRLMNAALOX15CYP3A4
SCHEMBL2585385 0.77 CYP19A1 (0.40) CYP19A1TSHRLMNAALOX15CYP3A4
SCHEMBL30513881 0.74 OAT (0.51) CYP19A1TSHRLMNACES2CYP3A4
SCHEMBL19696768 0.74 OAT (0.51) CYP19A1TSHRLMNACES2CYP3A4
SCHEMBL11583404 0.70 CYP19A1 (0.39) CYP19A1TSHRLMNAALOX15CYP3A4
SCHEMBL15850972 0.70 LMNA (0.36) CYP19A1TSHRLMNAALOX15POLB
SCHEMBL21670839 0.69 PTPN1 (0.40) CYP19A1LMNACES2CYP3A4CYP2C9

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
US-20120022283-A1 METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE VALERICON GMBH (AT) 2012-01-26 US disclosed
EP-2389350-A1 METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE Valericon GmbH (AT) 2011-11-30 EP 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-20120022283-A1 METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE GABRA6, GABRA5, GABRA1 CYP19A1 146/4885TSHR 877/4885LMNA 3372/4885

“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.