SCHEMBL14680387

SCHEMBL14680387

O=C1C(c2ccccc2)=C2C(=C1c1ccccc1)c1ccc(-c3cccc4ccccc34)c3cccc2c13

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
DNMT1 P26358 2/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL15028262 0.90 MAPT (0.47) DNMT1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL21889361 0.89 ALDH1A1 (0.44) DNMT1CA12CA1CA2CA9
SCHEMBL29773784 0.83 ALDH1A1 (0.56) DNMT1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL75606 0.83 ALDH1A1 (0.56) DNMT1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL10304455 0.83 ALDH1A1 (0.54) DNMT1CA12CA1CA2CA9
SCHEMBL10015037 0.81 ALDH1A1 (0.41) DNMT1CA12CA1CA2CA9
SCHEMBL22727693 0.81 MAPT (0.40) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL23349028 0.81 CES1 (0.58) PTPN1DNMT1CA12CA1CA2
SCHEMBL31619746 0.81 CES1 (0.58) PTPN1DNMT1CA12CA1CA2
SCHEMBL75348 0.81 CYP1B1 (0.51) KDM4EMAPTALDH1A1PABPC1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8963813-B2 Organic compound and organic light emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-8963813-B2 Organic compound and organic light emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-20140231787-A1 WHITE ORGANIC EL ELEMENT AND ILLUMINATING APPARATUS AND DISPLAY APPARATUS USING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-08-21 US disclosed
US-20140231787-A1 WHITE ORGANIC EL ELEMENT AND ILLUMINATING APPARATUS AND DISPLAY APPARATUS USING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-08-21 US disclosed
US-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-07 US disclosed
US-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-07 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-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME TRPA1, OCIAD1, BMP2 PTPN1 4543/4885DNMT1 642/4885CA12 1846/4885

“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.