SCHEMBL13159596

SCHEMBL13159596

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.37
PARP10 Q53GL7 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADAM17 P78536 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CDYL Q9Y232 1/20 0.35
HPGD P15428 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL13159534 0.88 ATM (0.35) MEN1KMT2AATMPARP10TDP1
SCHEMBL13159403 0.87 MEN1 (0.41) MEN1KMT2AATMPARP10TDP1
SCHEMBL13159554 0.84 EPHX1 (0.34) L3MBTL1
Ammonia Solution, Strong SCHEMBL31618934 0.82 TDP1 (0.39) MEN1KMT2AATMTDP1KDM4E
SCHEMBL13159583 0.82 KDM4E (0.49) KMT2AATMTDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31618933 0.81 TDP1 (0.38) MEN1KMT2AATMTDP1KDM4E
Bromide SCHEMBL31618935 0.81 TDP1 (0.38) MEN1KMT2AATMTDP1KDM4E
SCHEMBL13159585 0.80 MEN1 (0.35) MEN1KMT2AATMTDP1KDM4E
SCHEMBL13159370 0.79 PPARG (0.36) MEN1KMT2AATMTDP1KDM4E
SCHEMBL13159579 0.77 CXCR2 (0.36) KMT2AATMKDM4EALDH1A1HPGD

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.