SCHEMBL9944370

SCHEMBL9944370

Cc1ccc2c(C(=O)OC(C)C)cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL16131036 0.83 KMT2A (0.56) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL14113741 0.81 ALDH1A1 (0.50) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13701030 0.81 TSHR (0.54) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL2289118 0.79 ALDH1A1 (0.51) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL30048398 0.79 ALDH1A1 (0.51) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL9944369 0.78 NSD2 (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL14557455 0.76 PARP1 (0.58) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL2119530 0.74 NPC1 (0.55) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL27919018 0.73 NPC1 (0.54) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL28144632 0.73 NPC1 (0.54) MEN1KMT2APOLBNPC1RAB9A

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 MEN1 225/4885KMT2A 3398/4885POLB 181/4885

“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.