SCHEMBL17138402

SCHEMBL17138402

COC(=O)c1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CYP1A2 P05177 3/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.38
SDHB P21912 1/20 0.38
GRM5 P41594 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL17138421 0.95 MAPT (0.47) MAPTCYP1A2GAARECQLP2RX7
SCHEMBL17138441 0.83 MAPT (0.49) MAPTCYP1A2GAARECQLP2RX7
SCHEMBL1111138 0.83 P2RX7 (0.61) MAPTCYP1A2GAARECQLP2RX7
SCHEMBL29418940 0.83 P2RX7 (0.61) MAPTCYP1A2GAARECQLP2RX7
SCHEMBL29502563 0.81 MAPT (0.50) MAPTCYP1A2GAARECQLP2RX7
Methyl Alcohol SCHEMBL17966403 0.81 P2RX7 (0.59) MAPTCYP1A2GAARECQLP2RX7
SCHEMBL22836314 0.81 MAPT (0.50) MAPTCYP1A2GAARECQLP2RX7
SCHEMBL16369847 0.81 MAPT (0.50) MAPTCYP1A2GAARECQLP2RX7
SCHEMBL2627807 0.78 CYP1A2 (0.53) MAPTCYP1A2GAARECQLP2RX7
SCHEMBL16834606 0.76 MAPT (0.48) MAPTCYP1A2GAARECQLP2RX7

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-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE CATYLIX INC (US) 2015-10-08 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-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE PFAS, AFF2, AFF4 MAPT 3445/4885CYP1A2 268/4885GAA 4751/4885

“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.