SCHEMBL13159403

SCHEMBL13159403

C=C(C)C(=O)OC(C)(C)CCOCc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.39
PARP10 Q53GL7 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
HPGD P15428 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13159370 0.91 PPARG (0.36) MEN1KMT2AATMTDP1SLC1A3
SCHEMBL13159596 0.87 MEN1 (0.39) MEN1KMT2AATMPARP10TDP1
SCHEMBL13159477 0.87 ATM (0.37) MEN1KMT2AATMPARP10TDP1
SCHEMBL13159337 0.83 EPHX1 (0.36) MEN1KMT2AHPGDL3MBTL1KDM4E
SCHEMBL13159399 0.81 KDM4E (0.52) KMT2AATMTDP1HPGDKDM4E
SCHEMBL13159400 0.79 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1
SCHEMBL13159424 0.79 ADRB2 (0.46) KMT2AHPGDADRB2ADRB1ADRB3
SCHEMBL13159585 0.78 MEN1 (0.35) MEN1KMT2AATMTDP1SLC1A3
SCHEMBL8068143 0.77 KMT2A (0.43) MEN1KMT2AATMPARP10TDP1
SCHEMBL1130685 0.76 KMT2A (0.50) MEN1KMT2AATMPARP10TDP1

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-8808960-B2 Compound and chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8808960-B2 Compound and chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20100233628-A1 COMPOUND AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20100233628-A1 COMPOUND AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 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-20100233628-A1 COMPOUND AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION HRH3, C9, H1-2 MEN1 932/4885KMT2A 666/4885ATM 2632/4885

“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.