SCHEMBL10285357

SCHEMBL10285357

COC1=CC(=O)C(C)(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 2/20 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
SCHEMBL8881555 0.76 POLB (0.40) CA1CA9POLBMAPT
SCHEMBL25269756 0.74 PLA2G7 (0.32)
SCHEMBL959235 0.71 CYP19A1 (0.33) CYP19A1
SCHEMBL16322256 0.71 CYP19A1 (0.33) CYP19A1
SCHEMBL16321921 0.70 POLB (0.33) POLBCYP19A1
SCHEMBL4329065 0.70 CYP19A1 (0.32) CYP19A1
SCHEMBL7620452 0.68 POLB (0.39) POLBALDH1A1CYP3A4CYP19A1
SCHEMBL450333 0.67
SCHEMBL12697758 0.67 CES2 (0.33) ALDH1A1CYP3A4MAPTCYP19A1
SCHEMBL125003 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295068-A1 NOVEL CYCLOALKENONE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-21 US disclosed
EP-4194435-A1 NOVEL CYCLOALKENONE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2023-06-14 EP disclosed
CN-116096361-A Novel cyclic enone compound or salt thereof 大鹏药品工业株式会社 2023-05-09 CN disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
EP-2202216-B1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2012-06-27 EP disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 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 (4 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-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 CA1 2819/4885CA9 285/4885POLB 4000/4885
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 CA1 2819/4885CA9 285/4885POLB 4000/4885
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 CA1 2819/4885CA9 285/4885POLB 4000/4885
US-20230295068-A1 NOVEL CYCLOALKENONE COMPOUND OR SALT THEREOF BDNF, SMN1; SMN2, ELAVL1 CA1 3528/4885CA9 3304/4885POLB 990/4885

“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.