SCHEMBL17752168

SCHEMBL17752168

C=C(C)C(=O)OC(C)(C)C(=O)OCC(C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
EPHX2 P34913 2/20 0.32
PRKCA P17252 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17753843 0.84 TSHR (0.33) TSHRALDH1A1NPC1EPHX2
SCHEMBL5901412 0.84 TSHR (0.51) TSHRALDH1A1NPC1EPHX2PRKCA
SCHEMBL17752177 0.82 NPC1 (0.35) ALDH1A1NPC1EPHX2MEN1KMT2A
SCHEMBL17752178 0.79 ALDH1A1 (0.44) TSHRALDH1A1EPHX2MEN1KMT2A
SCHEMBL17752175 0.77 MEN1 (0.47) ALDH1A1EPHX2MEN1KMT2A
SCHEMBL17752179 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3680712 0.76 TSHR (0.49) TSHRALDH1A1NPC1EPHX2PRKCA
SCHEMBL17752166 0.75 MEN1 (0.39) TSHRALDH1A1EPHX2MEN1KMT2A
SCHEMBL17752183 0.74 CYP19A1 (0.41) ALDH1A1EPHX2MEN1KMT2A
SCHEMBL5901109 0.73 TSHR (0.41) TSHRALDH1A1NPC1EPHX2MEN1

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-9971241-B2 Compound, resin, resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-15 US disclosed
US-20160139508-A1 COMPOUND, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-19 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-20160139508-A1 COMPOUND, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN AFF1, AFF2, AFF4 TSHR 501/4885ALDH1A1 1178/4885NPC1 2231/4885

“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.