SCHEMBL949338

SCHEMBL949338

CC1(OCCOC(=O)CBr)C2CC3CC(C2)CC1C3

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
THRB P10828 1/20 0.32
EPHX2 P34913 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
SCHEMBL952298 0.86 CYP17A1 (0.36) ALDH1A1CYP17A1CYP19A1THRBEPHX2
SCHEMBL949853 0.84 CYP17A1 (0.36) L3MBTL1ALDH1A1CYP17A1CYP19A1THRB
SCHEMBL949841 0.80 CYP17A1 (0.35) ALDH1A1CYP17A1CYP19A1THRB
SCHEMBL547984 0.78 CYP19A1 (0.49) ALDH1A1TRPA1CYP17A1CYP19A1
SCHEMBL949309 0.78 CYP17A1 (0.36) CYP17A1CYP19A1
SCHEMBL949089 0.78 CYP17A1 (0.44) CYP2C19L3MBTL1ALDH1A1TRPA1CYP17A1
SCHEMBL949381 0.77 THRB (0.36) ALDH1A1CYP17A1CYP19A1THRB
SCHEMBL949613 0.75 CYP17A1 (0.33) CYP17A1CYP19A1
SCHEMBL953202 0.75 CYP17A1 (0.36) ALDH1A1CYP17A1CYP19A1THRBEPHX2
SCHEMBL950257 0.74 CYP17A1 (0.35) ALDH1A1CYP17A1CYP19A1THRB

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 CYP2C19 2490/4885L3MBTL1 153/4885ALDH1A1 313/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP2C19 2490/4885L3MBTL1 153/4885ALDH1A1 313/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP2C19 2490/4885L3MBTL1 153/4885ALDH1A1 313/4885

“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.