SCHEMBL9944367

SCHEMBL9944367

Cc1cc(C)c2ccc(C(=O)OC(C)C)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL9945609 0.84 KDM4E (0.52) RAB9AMEN1KMT2ACA12CA1
SCHEMBL9944364 0.81 NPC1 (0.61) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL21816246 0.79 CYP1A2 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL31175317 0.79 CYP1A2 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9944374 0.77 NPC1 (0.60) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL1179763 0.74 CA12 (0.60) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL12386271 0.73 CA12 (0.62) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL2374301 0.73 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL707094 0.72 CA12 (0.67) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL20271627 0.72 GAA (0.62) MEN1KMT2APOLBMAPK1ALDH1A1

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-8846291-B2 Resist composition, method of forming resist pattern, and new compound TOKYO OHKA KOGYO CO. LTD. (JP) 2014-09-30 US disclosed
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-14 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-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND C1R, SLC11A2, RER1 NPC1 1812/4885RAB9A 2313/4885MEN1 225/4885

“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.