SCHEMBL332998

SCHEMBL332998

N#CCc1ccc(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP2A6 P11509 1/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
TSPO P30536 1/20 0.33
DRD3 P35462 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
P2RX7 Q99572 3/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA2 P00918 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL29942400 1.00 HPGD (0.33) HPGDALDH1A1DPP4FAPDPP8
SCHEMBL25328810 0.83 CSNK2A1 (0.35) HPGDALDH1A1CYP2A6FFAR1FFAR4
SCHEMBL332562 0.81 CSNK2A1 (0.34) HPGDALDH1A1CYP2A6FFAR1FFAR4
SCHEMBL3181394 0.81 MEP1A (0.41) HPGDALDH1A1CYP2A6FFAR1FFAR4
SCHEMBL25786501 0.81 USP8 (0.31) HPGDALDH1A1CYP2A6FFAR1FFAR4
SCHEMBL25330851 0.81 MAPT (0.33) HPGDALDH1A1CYP2A6FFAR1FFAR4
SCHEMBL16112560 0.81 CYP2A6 (0.31) HPGDALDH1A1CYP2A6FFAR1FFAR4
SCHEMBL24108090 0.81 MAPT (0.33) HPGDALDH1A1CYP2A6FFAR1FFAR4
SCHEMBL29893592 0.80 HPGD (0.40) HPGDALDH1A1RIPK1FFAR1FFAR4
SCHEMBL837981 0.80 HPGD (0.40) HPGDALDH1A1RIPK1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116154298-A Wide-temperature-zone lithium ion battery electrolyte and preparation method and application thereof 重庆酷利特科技有限公司 2023-05-23 CN claimed
CN-217614767-U Trifluoro-benzene acetonitrile acid environment reaction equipment 福建润华化工有限公司 2022-10-21 CN claimed
CN-116154298-A Wide-temperature-zone lithium ion battery electrolyte and preparation method and application thereof 重庆酷利特科技有限公司 2023-05-23 CN disclosed
CN-217614767-U Trifluoro-benzene acetonitrile acid environment reaction equipment 福建润华化工有限公司 2022-10-21 CN disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO disclosed
US-6528657-B2 For use in electroluminescence light emission element and can emit lights of various colors when an energy such as electric energy or electromagnetic energy is applied thereto TAIHO INDUSTRIES CO., LTD. (JP) 2003-03-04 US disclosed
US-20030023099-A1 Novel fluorescent carbazole derivative HIROSE ENGINEERING CO., LTD. (JP) 2003-01-30 US 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 (2 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 HPGD 58/4885ALDH1A1 224/4885DPP4 1129/4885
US-20030023099-A1 Novel fluorescent carbazole derivative CBR3, AANAT, SIRT3 HPGD 2494/4885ALDH1A1 1143/4885DPP4 1330/4885

“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.