SCHEMBL3859990

SCHEMBL3859990

CCc1cccc(C)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL9712661 0.87 GABRA1 (0.48) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
Ethane SCHEMBL2154466 0.85 GABRA1 (0.46) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL16956630 0.84 CYP1A2 (0.44) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL15534580 0.82 S1PR1 (0.48) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL12490229 0.82 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL23754863 0.82 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL11359423 0.82 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL13179961 0.82 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL8930901 0.81 CYP1A2 (0.42) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL1535598 0.81 GABRA1 (0.45) CYP1A2ALDH1A1SMN1; SMN2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037453-B2 Aromatic polyethers containing a biosourced furan diol ROQUETTE FRERES (FR) 2024-07-16 US disclosed
EP-3841147-B1 AROMATIC POLYETHERS CONTAINING A BIOSOURCED FURAN DIOL ROQUETTE FRERES (FR) 2023-10-04 EP disclosed
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
US-20210317265-A1 AROMATIC POLYETHERS CONTAINING A BIOSOURCED FURAN DIOL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-10-14 US disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 US disclosed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP disclosed
US-20060276522-A1 Benzisothiazol-3-one-carboxylic acid amides as phospholipase inhibitors ELI LILLY AND COMPANY (US) 2006-12-07 US disclosed
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-21 US disclosed
US-20060148796-A1 6-Substituted imidazopyrazines ALTANA PHARMA AG (DE) 2006-07-06 US disclosed
EP-1615900-A1 BENZISOTHIAZOL-3-ONE-CARBOXYLIC ACID AMIDES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-18 EP disclosed
EP-1610779-A1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
EP-1599481-A1 6-SUBSTITUTED IMIDAZOPYRAZINES ALTANA Pharma AG (DE) 2005-11-30 EP disclosed
WO-2004093872-A1 3-OXO-1, 3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
WO-2004094394-A1 BENZISOTHIAZOL-3-ONE-CARBOXYLIC ACID AMIDES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
WO-2004074289-A1 6-SUBSTITUTED IMIDAZOPYRAZINES ALTANA PHARMA AG (DE) 2004-09-02 WO 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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 CYP1A2 663/4885CYP2C19 1786/4885ALDH1A1 271/4885
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors C5AR2, C3AR1, C5AR1 CYP1A2 1343/4885CYP2C19 1493/4885ALDH1A1 2776/4885
US-20060276522-A1 Benzisothiazol-3-one-carboxylic acid amides as phospholipase inhibitors LIPG, PNLIP, LIPC CYP1A2 2235/4885CYP2C19 2706/4885ALDH1A1 464/4885
US-20060148796-A1 6-Substituted imidazopyrazines VIP, GIPR, SI CYP1A2 77/4885CYP2C19 185/4885ALDH1A1 861/4885

“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.