SCHEMBL2659564

SCHEMBL2659564

CC(=O)OCc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 2/20 0.53
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2A6 P11509 1/20 0.48
MAPT P10636 1/20 0.47
CYP3A4 P08684 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
HTT P42858 1/20 0.45
SMPD1 P17405 1/20 0.44
MAOB P27338 1/20 0.44

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
Propionic Acid SCHEMBL27769566 0.92 ALDH1A1 (0.54) ALDH1A1RAB9ATSHRGAATDP1
SCHEMBL29674812 0.88 FFAR1 (0.53) ALDH1A1
SCHEMBL132773 0.84 ALDH1A1 (0.78) ALDH1A1TDP1L3MBTL1MAPTCYP3A4
SCHEMBL11844391 0.83 GAA (0.51) RAB9ATSHRGAATDP1NPC1
SCHEMBL8886664 0.83 TSHR (0.48) ALDH1A1RAB9ATSHRGAATDP1
SCHEMBL11740343 0.83 TSHR (0.48) ALDH1A1RAB9ATSHRGAATDP1
SCHEMBL17316360 0.82 KDM1A (0.50) ALDH1A1RAB9ATSHRCYP2A6MAPT
SCHEMBL43788 0.81 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CYP3A4MAOB
SCHEMBL3292009 0.81 ALDH1A1 (0.58) ALDH1A1RAB9ATSHRGAATDP1
Hydrochloric Acid SCHEMBL11844386 0.81 GAA (0.50) RAB9ATSHRGAATDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291222-A1 ORGANOPHOSPHORUS FLAME-RETARDANT TETRAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-09-17 US claimed
EP-1004574-B1 Process for producing cyanobenzyl compounds SHOWA DENKO KK (JP) 2003-03-19 EP claimed
US-6187945-B1 TRANSFORMING AN AMINOMETHYL GROUP OF A CYANOBENZYLAMINE COMPOUND INTO A HYDROXYMETHYL GROUP, A HALOMETHYL GROUP, OR AN ACYLOXYMETHYL GROUP BY DIAZOTIZATION AND HYDROXYLATION, HALOGENATION OR ACYLATION SHOWA DENKO K.K. (JP) 2001-02-13 US claimed
EP-1004574-A1 Process for producing cyanobenzyl compounds Showa Denko Kabushiki Kaisha (JP) 2000-05-31 EP claimed
CN-112851538-B Method for promoting acylation of amine or alcohol by carbon dioxide 中国科学院兰州化学物理研究所 2022-05-20 CN disclosed
CN-112851538-A Method for promoting acylation of amine or alcohol by carbon dioxide 中国科学院兰州化学物理研究所 2021-05-28 CN disclosed
US-10954376-B2 Organophosphorus flame-retardant tetrazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-03-23 US disclosed
US-20200291222-A1 ORGANOPHOSPHORUS FLAME-RETARDANT TETRAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-09-17 US disclosed
US-10577327-B2 Pyridine based ionic fluoride for catalyzing indole and tetrazole formation KING ABDULAZIZ UNIVERSITY (SA) 2020-03-03 US disclosed
CN-103764635-B New trifluoromethyl-oxadiazole derivative and the purposes in disease treatment thereof NOVARTIS AG (CH) 2016-01-20 CN disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1004574-B1 Process for producing cyanobenzyl compounds SHOWA DENKO KK (JP) 2003-03-19 EP disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-6485657-B1 Gamma-ray stabilizer and thermoplastic polymer compound including the said stabilizer TEIJIN, LIMITED (JP) 2002-11-26 US disclosed
US-6187945-B1 TRANSFORMING AN AMINOMETHYL GROUP OF A CYANOBENZYLAMINE COMPOUND INTO A HYDROXYMETHYL GROUP, A HALOMETHYL GROUP, OR AN ACYLOXYMETHYL GROUP BY DIAZOTIZATION AND HYDROXYLATION, HALOGENATION OR ACYLATION SHOWA DENKO K.K. (JP) 2001-02-13 US disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed
EP-1004621-A1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 2000-05-31 EP disclosed
EP-1004574-A1 Process for producing cyanobenzyl compounds Showa Denko Kabushiki Kaisha (JP) 2000-05-31 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 (3 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-10577327-B2 Pyridine based ionic fluoride for catalyzing indole and tetrazole formation FLI1, ABL1, INMT ALDH1A1 1278/4885RAB9A 1497/4885TSHR 266/4885
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A ALDH1A1 572/4885RAB9A 742/4885TSHR 2457/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 348/4885RAB9A 258/4885TSHR 634/4885

“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.