SCHEMBL6848494

SCHEMBL6848494

CCOC(=Cc1c(C(F)(F)F)nn(C)c1C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP2C9 P11712 2/20 0.36
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5381056 0.78 ALDH1A1 (0.42) CYP1A2CYP2D6ALDH1A1GAACYP2C19
SCHEMBL5381060 0.78 ALDH1A1 (0.42) CYP1A2CYP2D6ALDH1A1GAACYP2C19
SCHEMBL8787277 0.73 KMT2A (0.44) ALDH1A1GAAKMT2ANPC1PKM
SCHEMBL6848487 0.71 PKM (0.33) CYP1A2CYP2D6ALDH1A1GAACYP2C19
SCHEMBL6848488 0.71 PKM (0.33) CYP1A2CYP2D6ALDH1A1GAACYP2C19
SCHEMBL6294806 0.71 POLB (0.33) CYP1A2CYP2D6ALDH1A1GAACYP2C19
SCHEMBL764718 0.71 ALDH1A1 (0.36) CYP1A2CYP2D6ALDH1A1GAACYP2C19
SCHEMBL22381039 0.70 SMN1; SMN2 (0.47) CYP1A2ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL5369754 0.69 ALDH1A1 (0.44) CYP1A2CYP2D6ALDH1A1GAACYP2C19
SCHEMBL5369758 0.69 ALDH1A1 (0.44) CYP1A2CYP2D6ALDH1A1GAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142820-A1 Pyrazolylarylalkines VENTURE LENDING & LEASING IX, INC. 2004-07-22 US claimed

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-20040142820-A1 Pyrazolylarylalkines CBR3, PPOX, ALK CYP1A2 7/4885CYP2D6 62/4885ALDH1A1 603/4885

“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.