SCHEMBL16308872

SCHEMBL16308872

CCOC(=O)CCCC#Cc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.45
▸ CYP4A11 Q02928 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL11146577 0.77 ALOX5 (0.51) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL28564819 0.77 CYP3A4 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10740470 0.76 CYP3A4 (0.46) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4280713 0.74 KCNH2 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31544587 0.74 KCNH2 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13653518 0.74 GABRP (0.38) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10794849 0.72 CYP3A4 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30912697 0.72 CYP3A4 (0.59) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16058713 0.72 GAA (0.59) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9345558 0.72 CYP4F2 (0.50) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457693-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-29 — — US disclosed
US-20190031688-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-31 — — US disclosed
US-10183957-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-22 — — US disclosed
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-07-19 — — US disclosed
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-07-19 — — US disclosed
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 — — US disclosed
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 — — US disclosed
US-9512147-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 — — US disclosed
US-9512147-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 — — US disclosed
US-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 — — US disclosed
US-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 — — US disclosed
US-9238661-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-19 — — US disclosed
US-9238661-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-19 — — US disclosed
US-20140371444-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2014-12-18 — — US disclosed
US-20140371444-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2014-12-18 — — 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 (7 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-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CYP4F2 233/4885CYP4A11 371/4885SMN1; SMN2 1952/4885
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CYP4F2 233/4885CYP4A11 371/4885SMN1; SMN2 1952/4885
US-10457693-B2 Organoboron compounds and methods of making organoboron compounds NDC1, ELOC, UGT2B7 CYP4F2 233/4885CYP4A11 371/4885SMN1; SMN2 1952/4885
US-20140371444-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CYP4F2 233/4885CYP4A11 371/4885SMN1; SMN2 1952/4885
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CYP4F2 233/4885CYP4A11 371/4885SMN1; SMN2 1952/4885
US-10183957-B2 Organoboron compounds and methods of making organoboron compounds NDC1, ELOC, UGT2B7 CYP4F2 233/4885CYP4A11 371/4885SMN1; SMN2 1952/4885
US-20190031688-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CYP4F2 233/4885CYP4A11 371/4885SMN1; SMN2 1952/4885

“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.

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