SCHEMBL18031822

SCHEMBL18031822

O=C(OCC(F)(F)C(F)(F)CO)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
ALDH1A1 P00352 9/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.45
CYP17A1 P05093 2/20 0.42
CYP19A1 P11511 2/20 0.42
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.37
XBP1 P17861 1/20 0.37
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 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
SCHEMBL17899108 0.87 PRKCA (0.38) PRKCAALDH1A1MAPTKMT2ANPSR1
SCHEMBL17899109 0.86 ALDH1A1 (0.51) ALDH1A1NPSR1GAALMNA
SCHEMBL26437516 0.84 CYP17A1 (0.46) PRKCAALDH1A1MAPTKMT2ANPSR1
SCHEMBL17899100 0.83 ALDH1A1 (0.42) PRKCAALDH1A1MAPTKMT2ANPSR1
SCHEMBL15279135 0.83 ALDH1A1 (0.50) PRKCAALDH1A1MAPTKMT2ANPSR1
SCHEMBL26437481 0.82 ALDH1A1 (0.41) PRKCAALDH1A1MAPTKMT2ANPSR1
SCHEMBL15853234 0.81 PRKCA (0.51) PRKCAALDH1A1MAPTKMT2ANPSR1
SCHEMBL18031814 0.81 ALDH1A1 (0.40) PRKCAALDH1A1MAPTKMT2ANPSR1
SCHEMBL26437483 0.80 ALDH1A1 (0.42) PRKCAALDH1A1MAPTKMT2ANPSR1
SCHEMBL544446 0.80 CYP17A1 (0.48) PRKCAALDH1A1MAPTKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9671692-B2 Compound, resin and photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed
US-9671692-B2 Compound, resin and photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed
US-20160244400-A1 COMPOUND, RESIN AND PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-25 US disclosed
US-20160244400-A1 COMPOUND, RESIN AND PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-25 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-20160244400-A1 COMPOUND, RESIN AND PHOTORESIST COMPOSITION C1R, KISS1R, C1S PRKCA 4364/4885ALDH1A1 543/4885MAPT 2423/4885

“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.