SCHEMBL18014745

SCHEMBL18014745

CC(C)(C)Cc1ccc(-c2ccc(F)c(Cl)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.51
POLB P06746 1/20 0.48
HPGD P15428 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CD274 Q9NZQ7 1/20 0.41
IGF1R P08069 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.39
SOS1 Q07889 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 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
SCHEMBL18015808 0.83 RPA1 (0.55) RPA1POLBHPGDALDH1A1CD274
SCHEMBL18014746 0.78 SOS1 (0.63) POLBHPGDALDH1A1CD274NPSR1
SCHEMBL8131486 0.76 RPA1 (0.55) RPA1POLBHPGDALDH1A1CD274
SCHEMBL10025530 0.72 CYP2C19 (0.58) POLBHPGDALDH1A1MAPTSOS1
SCHEMBL5776824 0.70 RPA1 (0.76) RPA1HPGDALDH1A1IGF1RMAPT
SCHEMBL2600030 0.70 CNR2 (0.43) RPA1ALDH1A1NPSR1MAPTSOS1
SCHEMBL9887879 0.69 CYP2A6 (0.42) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL3055514 0.68 RPA1 (0.78) RPA1HPGDALDH1A1IGF1RMAPT
SCHEMBL21099914 0.68 ESR1 (0.39) MAPTMEN1KMT2A
SCHEMBL18014800 0.67 TRPV3 (0.52)

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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 RPA1 3287/4885POLB 1324/4885HPGD 1192/4885

“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.