SCHEMBL17752177

SCHEMBL17752177

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC22A2 O15244 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
EPHX2 P34913 4/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
DPP4 P27487 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
SCHEMBL6920723 0.85 ALDH1A1 (0.42) NPC1ALDH1A1SLC22A2SLC47A1EPHX2
SCHEMBL17753848 0.84 NPC1 (0.32) NPC1ALDH1A1
SCHEMBL17752168 0.82 TSHR (0.36) NPC1ALDH1A1EPHX2MEN1KMT2A
SCHEMBL17752183 0.78 CYP19A1 (0.41) ALDH1A1EPHX2MEN1KMT2AMAPK1
SCHEMBL17752178 0.75 ALDH1A1 (0.44) ALDH1A1EPHX2MAPTMEN1KMT2A
SCHEMBL3454443 0.74 ALDH1A1 (0.36) NPC1ALDH1A1SLC22A2SLC47A1EPHX2
SCHEMBL13202569 0.74 KMT2A (0.39) NPC1ALDH1A1SLC22A2SLC47A1EPHX2
SCHEMBL1215028 0.74 MEN1 (0.33) NPC1ALDH1A1EPHX2MEN1KMT2A
SCHEMBL28113034 0.73 SLC22A2 (0.43) NPC1ALDH1A1SLC22A2SLC47A1EPHX2
SCHEMBL27190208 0.73 TSHR (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1

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 NPC1 2231/4885ALDH1A1 1178/4885SLC22A2 1050/4885

“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.