SCHEMBL13159643

SCHEMBL13159643

CC(C)(C)CCOC(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
ABCB1 P08183 9/20 0.44
ABCG2 Q9UNQ0 6/20 0.43
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3399044 0.90 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL14707476 0.86 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL12256226 0.83 L3MBTL1 (0.53) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6880564 0.83 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL14440745 0.81 KDM4E (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL3404132 0.81 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL13159325 0.81 KDM4E (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL13159644 0.81 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL13695982 0.80 KDM4E (0.47) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15910310 0.80 TSHR (0.58) ALDH1A1HPGDKDM4EMEN1KMT2A

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-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

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 ALDH1A1 1743/4885HPGD 3191/4885KDM4E 4077/4885

“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.