SCHEMBL101714

SCHEMBL101714

Cc1ccc(C)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2A6 P11509 3/20 0.44
TDP1 Q9NUW8 2/20 0.42
AR P10275 4/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
BRCA1 P38398 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 2/20 0.38
FFAR1 O14842 2/20 0.37
HSP90AB1 P08238 1/20 0.37
TP53 P04637 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37

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
SCHEMBL30509593 1.00 TSHR (0.52) TSHRGRM5ALDH1A1CYP2A6TDP1
SCHEMBL19608728 0.82 AR (0.56) TSHRALDH1A1CYP2A6ARHPGD
SCHEMBL1003862 0.82 ALDH1A1 (0.46) TSHRALDH1A1CYP2A6ARPKM
SCHEMBL30361887 0.80 TSHR (0.52) TSHRALDH1A1CYP2A6TDP1AR
SCHEMBL3478696 0.80 GRM2 (0.48) TSHRALDH1A1CYP2A6ARPKM
SCHEMBL277588 0.80 TSHR (0.52) TSHRALDH1A1CYP2A6TDP1AR
SCHEMBL1003188 0.78 TSHR (0.50) TSHRALDH1A1CYP2A6ARFFAR1
SCHEMBL20468109 0.76 TAAR1 (0.47) TSHRARPKMFFAR1P2RX3
SCHEMBL1853181 0.76 TRPA1 (0.52) TSHRALDH1A1CYP2A6TDP1AR
SCHEMBL253758 0.76 TRPV4 (0.43) TSHRALDH1A1CYP2A6ARPKM

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 346 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872849-B Method for preparing 2, 5-dimethylbenzene acetic acid 阜新睿光氟化学有限公司 2025-03-18 CN claimed
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-08-04 US claimed
US-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-03-03 US claimed
EP-2121927-B1 A SEQUENCE OF DSRNA: ATN-RNA, INTERVENTION USING IRNAI, USE OF A SEQUENCE OF DSRNA: ATN-RNA, A METHOD OF TREATING AND INHIBITING A BRAIN TUMOR, A KIT FOR INHIBITING CANCER CELL WHICH EXPRESSES TENASCIN, A METHOD FOR A KIT PREPARATION IN A BRAIN TUMOR THERAPY INST CHEMII BIOORG PAN (PL) 2012-10-10 EP claimed
CN-119866352-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 日本化药株式会社 2025-04-22 CN disclosed
CN-117529509-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2025-01-10 CN disclosed
CN-117355545-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-10-18 CN disclosed
CN-114787120-B Compound and method for producing same, resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-08-09 CN disclosed
WO-2024151638-A2 COMPOUNDS FOR FGFRS INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed
US-20240217953-A1 BICYCLIC SUBSTITUTED AROMATIC CARBOXYLIC ACID COMPOUNDS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
EP-0107116-A1 Dicyanobenzenes F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-02 EP disclosed
EP-0008532-B1 SYNTHESIS OF AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed
US-4298748-A Preparation of 2-imidazolines BASF AKTIENGESELLSCHAFT (DE) 1981-11-03 US disclosed
US-4284769-A FORMATION/C-C/, OXIDATON AKZONA INCORPORATED (US) 1981-08-18 US disclosed
US-4197388-A TRIAZINE CATALYST AKZONA INCORPORATED (US) 1980-04-08 US disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP disclosed
US-4124763-A A,A'-DIARYL-A,A'-BIS(DISUBSTITUTED-TRIAZINYL)-SUCCINONITRILES AKZONA INCORPORATED (US) 1978-11-07 US disclosed
US-3931276-A 2-Chloro-trichloro-benzonitriles BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (4 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-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS TYMP, PNP, CD4 TSHR 4499/4885GRM5 1736/4885ALDH1A1 2371/4885
US-20220242847-A1 PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS PRUNE1, G6PD, ACIN1 TSHR 4614/4885GRM5 1563/4885ALDH1A1 1817/4885
US-20240217953-A1 BICYCLIC SUBSTITUTED AROMATIC CARBOXYLIC ACID COMPOUNDS C9, CFB, C5 TSHR 1638/4885GRM5 4553/4885ALDH1A1 1678/4885
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND2 TSHR 1707/4885GRM5 3656/4885ALDH1A1 497/4885

“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.