SCHEMBL20175773

SCHEMBL20175773

OB(O)c1ccc2c(c1)c1ccccc1n2-c1cc2ccccc2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.36
TRPM4 Q8TD43 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 2/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAD52 P43351 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL29552193 0.84 CA1 (0.42) CA1CA2CYP1A2ALDH1A1TDP1
SCHEMBL29888544 0.84 CA1 (0.42) CA1CA2CYP1A2ALDH1A1TDP1
SCHEMBL3664181 0.84 CA1 (0.42) CA1CA2CYP1A2ALDH1A1TDP1
SCHEMBL18086214 0.83 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1TRPM4
SCHEMBL29827886 0.83 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1TRPM4
SCHEMBL20175775 0.82 CA1 (0.36) CA1CA2ALDH1A1IDO1TDO2
SCHEMBL17228162 0.81 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1TRPM4
SCHEMBL15964341 0.80 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1TRPM4
SCHEMBL18525478 0.79 KDM4E (0.52) CA1CA2ALDH1A1KDM4EATM
SCHEMBL16943312 0.78 ALDH1A1 (0.40) CA1CA2ALDH1A1KDM4EATM

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-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-24 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-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 CA1 1041/4885CA2 1260/4885CYP1A2 1359/4885

“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.