SCHEMBL15908511

SCHEMBL15908511

CC(=O)OC1C=C(C)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
TSHR P16473 3/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 2/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCB11 O95342 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CHRM1 P11229 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL7702140 0.81 ABCB1 (0.36) CYP19A1TSHRKMT2ACYP3A4USP2
SCHEMBL11592365 0.81 ABCB1 (0.36) CYP19A1TSHRKMT2ACYP3A4USP2
SCHEMBL31348323 0.73 CYP3A4 (0.36) CYP19A1TSHRKMT2ACYP3A4USP2
SCHEMBL25232601 0.73 CYP3A4 (0.36) CYP19A1TSHRKMT2ACYP3A4USP2
SCHEMBL25220587 0.70 GAA (0.36) CYP19A1TSHRKMT2ACYP3A4USP2
SCHEMBL25197921 0.69 USP2 (0.32) CYP19A1TSHRCYP3A4USP2ALOX15
SCHEMBL25200083 0.68 USP2 (0.33) CYP19A1CYP3A4USP2PTGS1HSD11B1
SCHEMBL25199449 0.68 USP2 (0.33) CYP19A1CYP3A4USP2PTGS1HSD11B1
SCHEMBL25206845 0.68 LMNA (0.34) KMT2ACYP3A4USP2ALDH1A1HSD17B10
SCHEMBL25211438 0.68 CYP19A1 (0.32) CYP19A1TSHRCYP3A4USP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221122-B2 Enantiospecific process for the preparation of (R) and (S) enantiomers of sex pheromonoes of the long tailed mealy bug COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-05 US disclosed
US-20180134650-A1 AN ENANTIOSPECIFIC PROCESS FOR THE PREPARATION OF (R) AND (S) ENANTIOMERS OF SEX PHEROMONOES OF THE LONG TAILED MEALY BUG COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-17 US disclosed
US-20180134650-A1 AN ENANTIOSPECIFIC PROCESS FOR THE PREPARATION OF (R) AND (S) ENANTIOMERS OF SEX PHEROMONOES OF THE LONG TAILED MEALY BUG COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-17 US disclosed
US-9598346-B2 Enantioselective process for the preparation of enantiomers of sex pheromones COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-21 US disclosed
US-9598346-B2 Enantioselective process for the preparation of enantiomers of sex pheromones COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-21 US disclosed
WO-2016181413-A1 AN ENANTIOSPECIFIC PROCESS FOR THE PREPARATION OF (R) AND (S) ENANTIOMERS OF SEX PHEROMONESOF THE LONG TAILED MEALY BUG COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 WO disclosed
US-20150361025-A1 ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF ENANTIOMERS OF SEX PHEROMONES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 US disclosed
US-20150361025-A1 ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF ENANTIOMERS OF SEX PHEROMONES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 US disclosed
WO-2014115172-A1 ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF ENANTIOMERS OF SEX PHEROMONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-07-31 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 (3 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-20150361025-A1 ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF ENANTIOMERS OF SEX PHEROMONES SHBG, LHCGR, VIP CYP19A1 8/4885TSHR 1782/4885KMT2A 3247/4885
US-20180134650-A1 AN ENANTIOSPECIFIC PROCESS FOR THE PREPARATION OF (R) AND (S) ENANTIOMERS OF SEX PHEROMONOES OF THE LONG TAILED MEALY BUG SHBG, LHCGR, BMPR1B CYP19A1 74/4885TSHR 1313/4885KMT2A 2660/4885
US-10221122-B2 Enantiospecific process for the preparation of (R) and (S) enantiomers of sex pheromonoes of the long tailed mealy bug SHBG, LHCGR, CYP4A11 CYP19A1 52/4885TSHR 1290/4885KMT2A 2847/4885

“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.