SCHEMBL178769

SCHEMBL178769

CC(=C(C#N)C#N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ESR1 P03372 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
APP P05067 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
SCHEMBL28260942 0.87 SMN1; SMN2 (0.50) ALDH1A1ESR1KMT2AMEN1MAPT
SCHEMBL18972851 0.85 ESR1 (0.65) ESR1CES2PTGS2
SCHEMBL28608248 0.84 ESR1 (0.44) ALDH1A1ESR1KMT2AMEN1MAPT
SCHEMBL23964325 0.81 ALDH1A1 (0.50) ALDH1A1ESR1KMT2AMEN1MAPT
SCHEMBL17208791 0.81 CYP19A1 (0.50) ALDH1A1ESR1KMT2AMEN1MAPT
SCHEMBL28241182 0.81 ESR1 (0.43) ALDH1A1ESR1KMT2AMEN1MAPT
SCHEMBL31512537 0.79 KMT2A (0.44) ALDH1A1ESR1KMT2AMEN1MAPT
SCHEMBL15626973 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GABRA1GABRB1
SCHEMBL5599378 0.79 ESR1 (0.54) ALDH1A1ESR1KMT2AMEN1GABRA1
SCHEMBL4657618 0.77 GABRA1 (0.56) ALDH1A1KMT2AMEN1GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057798-A Fluorescent probe, preparation method and application thereof 徐州医科大学 2022-09-16 CN claimed
CN-114512719-A Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-17 CN claimed
CN-113801179-A Beta-galactosidase fluorescent probe, preparation method and application thereof 华东理工大学 2021-12-17 CN claimed
CN-118221635-A Aryl thiophene compound and preparation method and application thereof 沈阳药科大学 2024-06-21 CN disclosed
WO-2023219521-A1 NEW 2-(DIETHYLAMINO)-4,6-DIPHENYLBENZENE-1,3-CARBONITRILE DERIVATIVES, METHOD OF THEIR PRODUCTION, THEIR USE AND NEW PHOTOINITIATING SYSTEMS FOR PHOTOINITIATED CATIONIC, RADICAL, THIOL-ENE AND HYBRID POLYMERIZATION Politechnika Krakowska im. Tadeusza Kościuszki (PL) 2023-11-16 WO disclosed
CN-116535368-A Dicyanomethane compound and synthesis method and application thereof 浙江理工大学嵊州创新研究院有限公司 2023-08-04 CN disclosed
CN-116514694-A Preparation method of sulfur ylide compound 浙江大学 2023-08-01 CN disclosed
CN-116496191-A Preparation method of polysubstituted alkenyl thioether compound 浙江大学 2023-07-28 CN disclosed
CN-115839028-A Antibacterial surgical operation suture line and preparation method and application thereof 华南理工大学 2023-03-24 CN disclosed
CN-115057798-B Fluorescent probe, preparation method and application thereof 徐州医科大学 2023-03-10 CN disclosed
CN-115057798-A Fluorescent probe, preparation method and application thereof 徐州医科大学 2022-09-16 CN disclosed
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TOSOH F-TECH, INC. (JP) 2012-05-24 US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 US disclosed
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
CN-101041648-B Inverse type-1,2-cyclopropane derivative and preparation method thereof UNIV SHANGHAI 2010-08-18 CN disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 US disclosed
CN-101041648-A Inverse type-1,2-cyclopropane derivative and preparation method thereof UNIV SHANGHAI (CN) 2007-09-26 CN disclosed
US-5708180-A CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME BAYER AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
US-5591833-A WASHABILITY, COMPATIBILITY WITH THERMOPLASTIC RESINS MILLIKEN RESEARCH CORPORATION (US) 1997-01-07 US disclosed
EP-0529162-A1 Colorants and intermediates therefor having branched poly(oxyalkylene)moieties, and their manufacture MILLIKEN RESEARCH CORPORATION (US) 1993-03-03 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 (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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 ALDH1A1 371/4885ESR1 815/4885KMT2A 3041/4885
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TST, CBR3, CYP4B1 ALDH1A1 3183/4885ESR1 2162/4885KMT2A 1519/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD ALDH1A1 198/4885ESR1 4443/4885KMT2A 3753/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS ALDH1A1 378/4885ESR1 908/4885KMT2A 2961/4885

“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.