SCHEMBL16707458

SCHEMBL16707458

Cc1cccc(C)c1SC#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
AR P10275 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
ACHE P22303 1/20 0.36
ALDH1A1 P00352 6/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 4/20 0.35
SCN4A P35499 4/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.32
TRPA1 O75762 2/20 0.32
CD44 P16070 1/20 0.32
ATM Q13315 1/20 0.32
GFER P55789 1/20 0.31

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
SCHEMBL19673759 0.85 ACHE (0.43) TSHRARCYP1A2CYP2A6ACHE
SCHEMBL7624581 0.84 ALDH1A1 (0.38) TSHRARCYP2A6ALDH1A1CA2
SCHEMBL16707475 0.78 ALDH1A1 (0.39) TSHRARALDH1A1CA2MAPT
SCHEMBL11920168 0.78 TSHR (0.53) TSHRALDH1A1MAPT
SCHEMBL16707549 0.78 ALDH1A1 (0.43) ARCYP1A2CYP2A6ALDH1A1
SCHEMBL3411697 0.75 AR (0.39) TSHRARALDH1A1MAPTHTT
SCHEMBL7936881 0.75 TRPA1 (0.38) TSHRARCYP1A2CYP2A6ACHE
SCHEMBL16707448 0.73 ALDH1A1 (0.52) ARALDH1A1CA2MAPTHTT
SCHEMBL231786 0.73 TSHR (0.44) TSHRARACHEALDH1A1CA1
SCHEMBL9727642 0.72 ALDH1A1 (0.50) TSHRARCYP1A2CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399942-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-12-14 US disclosed
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION THE UAB RESEARCH FOUNDATION 2022-01-27 US disclosed
WO-2020061412-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-03-26 WO disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
US-20180007907-A1 PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-11 US disclosed
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
WO-2016116445-A1 PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-07-28 WO disclosed
US-20150129849-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-05-14 US disclosed
CN-101432638-A Plastic polarized lens SEIKO EPSON CORP (JP) 2009-05-13 CN 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-20180007907-A1 PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES DDT, ACHE, CAT TSHR 163/4885AR 3514/4885CYP1A2 39/4885
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 TSHR 2038/4885AR 4669/4885CYP1A2 737/4885

“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.