SCHEMBL4099452

SCHEMBL4099452

CC(C)(C)c1cc(F)c(Nc2ccccc2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.46
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP2C9 P11712 1/20 0.37
MIF P14174 1/20 0.37
TYR P14679 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL19985676 0.73 ALDH1A1 (0.50) MAPTALDH1A1ALOX15KDM4ESMN1; SMN2
Diphenylamine SCHEMBL28258923 0.72 ALDH1A1 (0.69) MAPTALDH1A1ALOX15KDM4ESMN1; SMN2
SCHEMBL12731873 0.71 ALOX15 (0.67) CFTRMAPTALDH1A1ALOX15KDM4E
SCHEMBL8962199 0.70 TDP1 (0.50) MAPTALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL16736930 0.69 ALOX15 (0.71) CFTRMAPTALDH1A1ALOX15KDM4E
SCHEMBL10366243 0.69 ALDH1A1 (0.50) MAPTALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL7169368 0.69 CYP3A4 (0.52) MAPTALDH1A1ALOX15KDM4ESMN1; SMN2
SCHEMBL22914813 0.69 ALDH1A1 (0.50) MAPTALDH1A1ALOX15KDM4ESMN1; SMN2
Phenol SCHEMBL11597348 0.68 ALDH1A1 (0.68) MAPTALDH1A1ALOX15KDM4ESMN1; SMN2
SCHEMBL5025936 0.68 ATM (0.52) MAPTALDH1A1KDM4ETDP1TSHR

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-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 CFTR 1/4885MAPT 4847/4885ALDH1A1 2221/4885

“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.