SCHEMBL952296

SCHEMBL952296

O=C(CBr)OCC(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.44
EPHX2 P34913 2/20 0.40
CYP17A1 P05093 2/20 0.40
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
TRPA1 O75762 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAAA Q02083 1/20 0.33

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
SCHEMBL5988511 0.87 CYP19A1 (0.50) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL949707 0.85 ALDH1A1 (0.39) CYP19A1NPSR1LMNAALDH1A1THRB
SCHEMBL951987 0.84 CYP19A1 (0.49) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL952639 0.83 TRPA1 (0.33) CYP19A1ALDH1A1TRPA1
SCHEMBL951969 0.83 CYP19A1 (0.44) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL953272 0.80 TRPA1 (0.31) ALDH1A1TRPA1
SCHEMBL24361158 0.79 CYP19A1 (0.44) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL948636 0.79 TSHR (0.41) CYP19A1CYP17A1NPSR1TSHRNAAA
SCHEMBL18776034 0.79 CYP19A1 (0.41) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL12705266 0.78 CYP19A1 (0.43) CYP19A1EPHX2CYP17A1NPSR1TSHR

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
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US claimed
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US disclosed
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 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 (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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP19A1 2018/4885EPHX2 1427/4885CYP17A1 4501/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP19A1 2018/4885EPHX2 1427/4885CYP17A1 4501/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP19A1 2018/4885EPHX2 1427/4885CYP17A1 4501/4885

“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.