SCHEMBL12424293

SCHEMBL12424293

CCC(CC)CCCSC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
FOLH1 Q04609 2/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
CA2 P00918 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPA1 O75762 2/20 0.31
RNPEP Q9H4A4 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
SCHEMBL18471536 0.90 ALDH1A1 (0.36) ALDH1A1TDP1FOLH1CYP3A4TSHR
SCHEMBL13003062 0.80 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL22201981 0.79 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15030949 0.78 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL23679950 0.75 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRANPEP
SCHEMBL10662960 0.75 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9058714 0.75 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL20825524 0.74
SCHEMBL11578114 0.72 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL25341506 0.72 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2

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
EP-2961745-B1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
US-8900791-B2 Actinic ray-sensitive or radiation-sensitive resin composition and method of forming pattern with the composition FUJIFILM CORPORATION (JP) 2014-12-02 US disclosed
US-8900791-B2 Actinic ray-sensitive or radiation-sensitive resin composition and method of forming pattern with the composition FUJIFILM CORPORATION (JP) 2014-12-02 US disclosed
US-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-14 US disclosed
US-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-14 US disclosed
WO-2010035905-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-04-01 WO 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-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION ARSA, RAD51, ARID2 ALDH1A1 2232/4885TDP1 3244/4885FOLH1 4439/4885

“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.