SCHEMBL18031815

SCHEMBL18031815

C=C(C)C(=O)OCC(F)(F)C(F)(F)COC(=O)C12CC3CC(C1)C(=O)C(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 8/20 0.33
CYP17A1 P05093 3/20 0.33
CYP19A1 P11511 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 3/20 0.33
EPHX2 P34913 1/20 0.33
PRKCA P17252 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL18031814 0.89 ALDH1A1 (0.40) NPSR1ALDH1A1CYP17A1CYP19A1MEN1
SCHEMBL18031823 0.87 CYP17A1 (0.33) NPSR1TSHRALDH1A1CYP17A1CYP19A1
SCHEMBL17899108 0.84 PRKCA (0.38) NPSR1TSHRALDH1A1CYP17A1CYP19A1
SCHEMBL17899091 0.83 NPSR1 (0.38) NPSR1TSHRALDH1A1CYP17A1CYP19A1
SCHEMBL17899094 0.82 NPSR1 (0.34) NPSR1TSHRALDH1A1CYP17A1CYP19A1
SCHEMBL685920 0.81 NPSR1 (0.39) NPSR1TSHRALDH1A1CYP17A1CYP19A1
SCHEMBL18031811 0.80 ALDH1A1 (0.34) NPSR1ALDH1A1CYP17A1CYP19A1MEN1
SCHEMBL17902834 0.79 NPSR1 (0.34) NPSR1TSHRALDH1A1CYP17A1CYP19A1
SCHEMBL18924636 0.79 ALDH1A1 (0.34) NPSR1ALDH1A1MEN1KMT2AATM
SCHEMBL17899101 0.79 NPSR1 (0.37) NPSR1TSHRALDH1A1CYP17A1CYP19A1

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 NPSR1 1620/4885TSHR 1706/4885ALDH1A1 543/4885

“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.