SCHEMBL803775

SCHEMBL803775

CC(C)C(C)(C)C(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL11483587 0.81 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL28452792 0.79 ALDH1A1 (0.35) ALDH1A1CYP2C19
SCHEMBL10955658 0.78 ALDH1A1 (0.36) ALDH1A1TSHRTP53
SCHEMBL29176956 0.77 ALDH1A1 (0.40) ALDH1A1TSHRTP53CYP2D6CYP1A2
SCHEMBL31738516 0.77 ALDH1A1 (0.40) ALDH1A1TSHRTP53CYP2D6CYP1A2
SCHEMBL20343323 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL85493 0.73 TSHR (0.57) ALDH1A1TSHRTP53CYP2D6CYP2C19
SCHEMBL11570554 0.72 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL17449769 0.72 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL24721851 0.70 PIK3CD (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846300-B2 Developer for processing lithographic printing plate precursor, method for manufacturing lithographic printing plate by using the developer, and printing method FUJIFILM CORPORATION (JP) 2014-09-30 US disclosed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20130157199-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2013-06-20 US disclosed
US-20130014658-A1 DEVELOPER FOR PROCESSING LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR MANUFACTURING LITHOGRAPHIC PRINTING PLATE BY USING THE DEVELOPER, AND PRINTING METHOD FUJIFILM CORPORATION (JP) 2013-01-17 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 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 (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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 ALDH1A1 834/4885TSHR 4680/4885TP53 1787/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR ALDH1A1 184/4885TSHR 3215/4885TP53 771/4885

“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.