SCHEMBL18245372

SCHEMBL18245372

CC(C)(C)c1cccc(N=C=S)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 2/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CCR2 P41597 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.40
APLNR P35414 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL2745089 0.85 CA2 (0.40) ALDH1A1TDP1CYP3A4CA2GABRA1
SCHEMBL2698868 0.82 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ABCB11NR3C1
SCHEMBL29420724 0.81 CA2 (0.38) ALDH1A1TDP1CYP3A4CA2GABRA1
SCHEMBL27746466 0.81 CA2 (0.38) ALDH1A1TDP1CYP3A4CA2GABRA1
SCHEMBL18245501 0.76 GABRA1 (0.48) ALDH1A1TDP1CYP3A4ABCB11NR3C1
SCHEMBL6632163 0.75 ALOX15 (0.39) ALDH1A1TDP1CYP3A4ABCB11NR3C1
SCHEMBL7062055 0.74 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ABCB11NR3C1
SCHEMBL6663440 0.73 CA2 (0.40) ALDH1A1TDP1HPGDCA2GABRA1
SCHEMBL1307764 0.73 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4ABCB11NR3C1
SCHEMBL304569 0.72 CA2 (0.57) ALDH1A1TDP1CYP1A2ALOX15HSD17B10

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
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX ALDH1A1 2646/4885TDP1 416/4885CYP3A4 3597/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 ALDH1A1 4040/4885TDP1 403/4885CYP3A4 4008/4885

“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.