SCHEMBL20172763

SCHEMBL20172763

CN(c1cccc2ccccc12)c1cccc2c1oc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
ALOX5 P09917 3/20 0.38
DHFR P00374 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 2/20 0.37
PGR P06401 1/20 0.37
AHR P35869 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOA P21397 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL20172765 0.85 ALOX5 (0.38) SIGMAR1ALOX5MEN1KMT2ACYP2C19
SCHEMBL20172791 0.84 PGR (0.40) ALOX5MEN1KMT2ACYP2C19PGR
SCHEMBL23056753 0.83 ALOX5 (0.40) SIGMAR1ALOX5MEN1KMT2ACYP2C19
SCHEMBL20172788 0.83 ALOX5 (0.38) ALOX5MEN1KMT2ACYP2C19PGR
SCHEMBL15747049 0.82 TOP2A (0.44) SIGMAR1ALOX5MEN1KMT2ACYP2C19
SCHEMBL20172790 0.81 ALOX5 (0.37) ALOX5MEN1KMT2ACYP2C19PGR
SCHEMBL19929766 0.81 ALOX5 (0.43) ALOX5MEN1KMT2ACYP2C19PGR
SCHEMBL20172764 0.81 CYP1A2 (0.38) SIGMAR1ALOX5DHFRMEN1KMT2A
SCHEMBL20650735 0.81 ALOX5 (0.38) SIGMAR1ALOX5MEN1KMT2ACYP2C19
SCHEMBL1683320 0.80 SIGMAR1 (0.63) SIGMAR1DHFRCYP2C19KDM4EALDH1A1

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 SIGMAR1 1467/4885ALOX5 695/4885DHFR 1549/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 SIGMAR1 2480/4885ALOX5 2172/4885DHFR 1559/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SIGMAR1 1467/4885ALOX5 695/4885DHFR 1549/4885

“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.