SCHEMBL18245733

SCHEMBL18245733

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL18245566 0.87 TSHR (0.47) TSHR
SCHEMBL6226870 0.85 TSHR (0.53) TSHRALDH1A1GABRA1GABRB2ABCB11
SCHEMBL28486297 0.84 TSHR (0.44) TSHR
SCHEMBL11417172 0.80 GABRA1 (0.52) TSHRALDH1A1GABRA1GABRB2ABCB11
SCHEMBL2371854 0.76 TSHR (0.58) TSHRGABRA1GABRB2CYP1A2CYP3A4
SCHEMBL18245123 0.76 CYP3A4 (0.43) TSHRALDH1A1GABRA1GABRB2ABCB11
SCHEMBL11417964 0.75 GABRA1 (0.47) TSHRGABRA1GABRB2CYP1A2CYP3A4
SCHEMBL11416557 0.74 GABRA1 (0.46) TSHRGABRA1GABRB2MIFP2RY6
SCHEMBL11421518 0.73 GABRA1 (0.67) TSHRALDH1A1GABRA1GABRB2MIF
SCHEMBL4193525 0.73 OPRD1 (0.32) ALDH1A1GABRA1GABRB2ABCB11NR3C1

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-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
CN-106414461-B Borate-based generated base alkaline agent and alkali reactive composition containing the generated base alkaline agent 富士胶片和光纯药株式会社 2018-09-11 — — CN disclosed
CN-106414461-A BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR 和光纯药工业株式会社 2017-02-15 — — CN 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 TSHR 1373/4885ALDH1A1 2646/4885GABRA1 420/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 TSHR 602/4885ALDH1A1 4040/4885GABRA1 774/4885

“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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