SCHEMBL7312928

SCHEMBL7312928

CC1(C#N)C=CC=CC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
YWHAG P61981 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 6/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32

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
SCHEMBL31716197 0.76 CUL4A (0.35) ALDH1A1HPGDKDM1AMAOAMAOB
SCHEMBL3992251 0.76 KDM1A (0.36) ALDH1A1KDM1AMAOAMAOB
SCHEMBL16428784 0.76 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMEN1HSP90AA1
SCHEMBL20520159 0.76 KDM1A (0.33) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL1153469 0.74 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL20017698 0.73 HTR2A (0.35) KDM1AMAOAMAOB
SCHEMBL13818654 0.73 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL11266183 0.73 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL8070798 0.72 KDM1A (0.33) KDM1A
SCHEMBL9842972 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510512-A Novel process for the preparation of 4'- (bromomethyl) [1,1' -biphenyl ] -2-carbonitrile 阿尔第实业有限公司 2024-08-16 CN disclosed
WO-2023157026-A1 A NOVEL PROCESS FOR THE PREPARATION OF 4'-(BROMOMETHYL)[1,1'-BIPHENYL]-2-CARBONITRILE AARTI INDUSTRIES LIMITED (IN) 2023-08-24 WO disclosed
CN-108732279-B Method for analyzing and determining genotoxic impurities in valsartan by using HPLC (high performance liquid chromatography) method 齐鲁制药有限公司 2022-07-08 CN disclosed
CN-114436833-A Preparation method of telmisartan key intermediate 4' -methylbiphenyl-2-carboxylic ester 南京红太阳医药研究院有限公司 2022-05-06 CN disclosed
CN-110183354-A A method of 4 '-bromomethyl -2- cyanobiphenyls are prepared using the continuous bromination reaction of illumination 山东汉兴医药科技有限公司 2019-08-30 CN disclosed
CN-102070465-B Method for preparing phenylaniline CHANGCHUN APPLIED CHEMISTRY 2013-12-18 CN disclosed
US-20120225896-A1 NOVEL 2-PYRIDONE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-09-06 US disclosed
CN-102070465-A Method for preparing phenylaniline CHANGCHUN APPLIED CHEMISTRY 2011-05-25 CN disclosed
CN-1285570-C Process for producing 4'-bromomethyl-2-cyanobiphenyl SUMITOMO CHEMICAL CO (JP) 2006-11-22 CN disclosed
CN-1810774-A A process for producing an aralkyl compound, a dehalogenation method of an aralkyl halide compound and a method for recovering an aralkyl compound SUMITOMO CHEMICAL CO (JP) 2006-08-02 CN disclosed
CN-1628094-A Method for producing 4' -bromomethyl-2-cyanobiphenyl SUMIKA FINE CHEMICALS CO LTD (JP) 2005-06-15 CN disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP 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 (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-20120225896-A1 NOVEL 2-PYRIDONE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME PPARG, PPARD, PPARA ALDH1A1 563/4885HPGD 190/4885KDM4E 3916/4885

“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.