SCHEMBL6728532

SCHEMBL6728532

O=C(O)c1c(Cl)ccc(C(F)(F)F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
DAO P14920 3/20 0.43
CLCN2 P51788 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 2/20 0.41
KDR P35968 1/20 0.41
KMO O15229 3/20 0.39
HPGD P15428 1/20 0.39
RORC P51449 2/20 0.38
PDK1 Q15118 1/20 0.37
TYK2 P29597 1/20 0.37
ANO1 Q5XXA6 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEP1B Q16820 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL7927678 0.87 DPP4 (0.44) DPP4DAOCLCN2ALDH1A1KDM4E
SCHEMBL3236266 0.83 CLCN2 (0.50) DPP4DAOCLCN2ALDH1A1KDM4E
SCHEMBL31193466 0.82 DPP4 (0.60) DPP4ALDH1A1KDM4EHSD17B10NOTUM
Hydrochloric Acid SCHEMBL3583525 0.81 CLCN2 (0.49) DPP4DAOCLCN2ALDH1A1KDM4E
SCHEMBL936925 0.81 DAO (0.46) DAOALDH1A1NOTUMKMOHPGD
SCHEMBL19585173 0.79 DAO (0.44) DAOCLCN2ALDH1A1KDM4EHSD17B10
SCHEMBL979367 0.79 CLCN2 (0.47) DPP4DAOCLCN2ALDH1A1KDM4E
SCHEMBL6725047 0.78 DAO (0.43) DAOALDH1A1KDM4ENOTUMHPGD
SCHEMBL2926338 0.78 NOTUM (0.38) DPP4DAOCLCN2NOTUMKDR
SCHEMBL30054183 0.78 DAO (0.43) DAOALDH1A1KDM4ENOTUMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677479-B2 REACTING A HALOGENATED BENZENE COMPOUND WITH ALDEHYDE; SOLVENT EXTRACTION; PURIFICATION CLARIANT FINANCE LBVI LIMITED (VG) 2004-01-13 US disclosed
US-20030092930-A1 Substituted fluoroaromatics, process for preparing them and their use CLARIANT GMBH 2003-05-15 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 (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-20030092930-A1 Substituted fluoroaromatics, process for preparing them and their use CYP2F1, CYP1A1, CYP4X1 DPP4 4490/4885DAO 681/4885CLCN2 1283/4885

“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.