SCHEMBL181368

SCHEMBL181368

CCC(C#N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MIF P14174 1/20 0.42
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HKDC1 Q2TB90 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
HTR2A P28223 2/20 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
SCHEMBL9436383 0.92 TRPA1 (0.41) TRPA1LMNATSHRMIFALDH1A1
SCHEMBL28153065 0.89 LMNA (0.38) TRPA1LMNATSHRMIFALDH1A1
SCHEMBL19386831 0.88 FFAR1 (0.46) TRPA1LMNATSHRALDH1A1ESR1
SCHEMBL9451744 0.85 FFAR1 (0.46) TSHRALDH1A1NPC1RAB9AESR1
SCHEMBL953748 0.83 TRPA1 (0.43) TRPA1LMNATSHRMIFALDH1A1
SCHEMBL1344877 0.81 TSHR (0.50) TRPA1TSHRALDH1A1NPC1POLB
SCHEMBL17996056 0.80 ESR2 (0.40) TSHRALDH1A1ESR1ESR2MEN1
SCHEMBL29061985 0.80 ALDH1A1 (0.41) LMNAALDH1A1GAAESR1ESR2
SCHEMBL954801 0.80 ALDH1A1 (0.41) LMNAALDH1A1GAAESR1ESR2
SCHEMBL1445763 0.79 CCR1 (0.42) TRPA1LMNATSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121577791-A Gas chromatography detection method for residual quantity of 2-chloropyrrole in 5-formyl-2, 4-dimethyl-1H-pyrrole-3-carboxylic acid serving as sunitinib intermediate 扬州市普林斯医药科技有限公司 2026-02-27 CN claimed
CN-119595780-A Method for detecting residual solvent in paeonol raw material 河北大学 2025-03-11 CN claimed
CN-119574737-A Method for detecting residual solvent in 1,3, 5-trihydroxybenzene 河北广祥制药有限公司 2025-03-07 CN claimed
CN-115541753-B Dissolved precipitation-gas chromatography method for determining content of residual methylene dichloride, chloroform and carbon tetrachloride in polycarbonate 聊城鲁西聚碳酸酯有限公司 2025-02-25 CN claimed
CN-119492818-A Gas chromatographic analysis method and device for perfluoro-n-propyl vinyl ether 中昊晨光化工研究院有限公司 2025-02-21 CN claimed
CN-119198934-A Method and system for detecting residual solvent of buspirone hydrochloride solvent 武汉海特生物创新医药研究有限公司 2024-12-27 CN claimed
CN-119176526-A Preparation method of sulfuryl fluoride 万华化学集团股份有限公司 2024-12-24 CN claimed
CN-118937505-A Method for analyzing isosorbide dinitrate residual solvent 山东科源制药股份有限公司 2024-11-12 CN claimed
CN-118795043-A Oxaragrolidine inheritance method for detecting toxic impurities 金陵药业股份有限公司 2024-10-18 CN claimed
CN-118759060-A Method for detecting dichloromethane in polycaprolactone gel 山东采采医疗科技有限公司 2024-10-11 CN claimed
CN-110749679-A Detection method of trimethyl pyrazine residues 华熙生物科技股份有限公司 2020-02-04 CN claimed
CN-109485757-A A kind of polypropylene and preparation method thereof containing nitrile group 江苏中煦聚烯烃研究院有限公司 2019-03-19 CN claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 US claimed
WO-2007094885-A2 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY (US) 2007-08-23 WO claimed
US-20070178575-A1 Identification Of A Nitrilase From B. Japonicum By Rational Genome Mining And Methods Of Use SOUTHERN METHODIST UNIVERSITY 2007-08-02 US claimed
EP-0531636-B1 Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INT FLAVORS & FRAGRANCES INC (US) 1995-10-18 EP claimed
EP-0628848-A1 ELECTROCHROMIC DEVICE Tonen Corporation (JP) 1994-12-14 EP claimed
EP-0531636-A1 Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-03-17 EP claimed
US-5179222-A Reaction of isobutyronitrile with styrene derivatives in the presence of sodium hydride and lithium diisopropylamide INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-01-12 US claimed

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-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE BLVRB, BBOX1, GGH TRPA1 3630/4885LMNA 3749/4885TSHR 4014/4885

“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.