SCHEMBL29659302

SCHEMBL29659302

CC(=O)OC1C=CC(C)COC(=O)CCCCC1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.43
▸ CYP3A4 P08684 9/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ATM Q13315 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL21464809 0.82 CYP2D6 (0.36) CYP2D6CYP3A4CYP2C19CASP1MEN1
SCHEMBL21464808 0.82 CYP2D6 (0.36) CYP2D6CYP3A4CYP2C19CASP1MEN1
SCHEMBL21464901 0.81 CYP2D6 (0.36) CYP2D6CYP3A4CYP2C19CASP1MEN1
SCHEMBL21464902 0.81 CYP2D6 (0.36) CYP2D6CYP3A4CYP2C19CASP1MEN1
SCHEMBL30978205 0.74 CYP2D6 (0.32) CYP2D6CYP3A4CYP2C19CASP1
SCHEMBL30743828 0.68 TSHR (0.40) CYP2D6CYP3A4CYP2C19CASP1MEN1
SCHEMBL23404581 0.68 CYP2D6 (0.33) CYP2D6CYP3A4CYP2C19CASP1ATM
SCHEMBL15577083 0.65 CYP2C19 (0.41) CYP2D6CYP3A4CYP2C19CASP1MEN1
SCHEMBL15616245 0.65 CYP2C19 (0.41) CYP2D6CYP3A4CYP2C19CASP1MEN1
SCHEMBL15577084 0.65 CYP2C19 (0.41) CYP2D6CYP3A4CYP2C19CASP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172988-B2 Anticancer and antifungal splice modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-24 — — US disclosed
US-20220227742-A1 ANTICANCER AND ANTIFUNGAL SPLICE MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-07-21 — — US disclosed
EP-4009966-A1 SCALEABLE PREPARATION OF POLYKETIDES The Regents of the University of California (US) 2022-06-15 — — EP 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 (2 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-20220227742-A1 ANTICANCER AND ANTIFUNGAL SPLICE MODULATORS SF3B5, U2AF1, CWC15 CYP2D6 1956/4885CYP3A4 1106/4885CYP2C19 2104/4885
US-12172988-B2 Anticancer and antifungal splice modulators SF3B5, U2AF1, CWC15 CYP2D6 1956/4885CYP3A4 1106/4885CYP2C19 2104/4885

“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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