SCHEMBL949089

SCHEMBL949089

CC1(OC(=O)COC(=O)CBr)C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.44
CYP19A1 P11511 2/20 0.44
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL547984 0.89 CYP19A1 (0.49) CYP17A1CYP19A1TRPA1ALDH1A1
SCHEMBL854489 0.86 CYP17A1 (0.45) CYP17A1CYP19A1ALDH1A1EPHX2LMNA
SCHEMBL210246 0.86 CYP19A1 (0.45) CYP17A1CYP19A1ALDH1A1EPHX2LMNA
SCHEMBL25776365 0.84 CYP17A1 (0.44) CYP17A1CYP19A1EPHX2LMNA
SCHEMBL12914637 0.84 CYP17A1 (0.44) CYP17A1CYP19A1EPHX2LMNA
SCHEMBL949327 0.84 CYP17A1 (0.44) CYP17A1CYP19A1EPHX2LMNA
SCHEMBL951505 0.83 TRPA1 (0.39) CYP17A1CYP19A1TRPA1ALDH1A1CYP2C19
SCHEMBL11990332 0.82 CYP17A1 (0.42) CYP17A1CYP19A1ALDH1A1EPHX2
SCHEMBL10226349 0.81 CYP17A1 (0.44) CYP17A1CYP19A1ALDH1A1EPHX2
SCHEMBL13760279 0.81 CYP17A1 (0.41) CYP17A1CYP19A1EPHX2

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 CYP17A1 4501/4885CYP19A1 2018/4885TRPA1 3154/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP17A1 4501/4885CYP19A1 2018/4885TRPA1 3154/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP17A1 4501/4885CYP19A1 2018/4885TRPA1 3154/4885

“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.