SCHEMBL9360740

SCHEMBL9360740

CCCOc1ccc(/C=C(\C#N)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SLC16A3 O15427 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
SLC16A1 P53985 1/20 0.56
GPR35 Q9HC97 1/20 0.56
EGFR P00533 1/20 0.56

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
SCHEMBL9360741 1.00 CISD1 (0.56) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL9365521 0.94 CISD1 (0.56) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL9365514 0.94 CISD1 (0.56) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL9361052 0.92 CISD1 (0.54) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL9361056 0.92 CISD1 (0.54) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL23572562 0.91 PTGES (0.55) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL9360606 0.91 PTGES (0.55) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL21625779 0.91 CISD1 (0.52) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL21625780 0.91 CISD1 (0.52) CISD1KDM4ESLC16A3ALDH1A1CYP3A4
SCHEMBL29918400 0.91 PTGES (0.55) CISD1KDM4ESLC16A3ALDH1A1CYP3A4

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-20110217783-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2011-09-08 US disclosed
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 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 (1 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-20110217783-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF PHOSPHO1, SGMS1, SGMS2 CISD1 2400/4885KDM4E 4601/4885SLC16A3 2900/4885

“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.