SCHEMBL20114720

SCHEMBL20114720

Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)ccc1N(c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.41
▸ ACMSD Q8TDX5 1/20 0.41
▸ F9 P00740 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ PPARG P37231 7/20 0.34
▸ PPARA Q07869 7/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL20114330 0.88 ALDH1A1 (0.37) MCL1ACMSDF9ALOX5ALDH1A1
SCHEMBL21206183 0.88 F9 (0.46) MCL1ACMSDF9ALOX5CA12
SCHEMBL18371302 0.88 F9 (0.42) MCL1ACMSDF9ALOX5CA12
SCHEMBL20109611 0.87 F9 (0.36) MCL1ACMSDF9ALOX5CA12
SCHEMBL24154565 0.86 F9 (0.39) MCL1ACMSDF9ALOX5CA12
SCHEMBL21206190 0.86 F9 (0.45) MCL1ACMSDF9ALOX5CA12
SCHEMBL18164771 0.86 MCL1 (0.36) MCL1ACMSDF9ALOX5CA12
SCHEMBL21966025 0.86 F9 (0.39) MCL1ACMSDF9ALOX5CA12
SCHEMBL26063543 0.85 F9 (0.41) MCL1ACMSDF9ALOX5CA12
SCHEMBL24747678 0.85 F9 (0.40) MCL1ACMSDF9ALOX5CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 — — 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-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 MCL1 2687/4885ACMSD 2125/4885F9 832/4885

“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.

Send feedback