SCHEMBL822778

SCHEMBL822778

Cn1ccc2c3ccccc3ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HSD17B10 Q99714 2/20 0.50
CYP2A6 P11509 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NQO2 P16083 1/20 0.50
HPRT1 P00492 1/20 0.46
HIF1A Q16665 1/20 0.43
CYP1B1 Q16678 1/20 0.43
GPR3 P46089 1/20 0.43
RHEB Q15382 1/20 0.42
DHFR P00374 1/20 0.41
IDO1 P14902 1/20 0.39
CYP1A2 P05177 1/20 0.39
PAX8 Q06710 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
PRKCI P41743 1/20 0.38

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
SCHEMBL14985339 0.93 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTRXFP1HSD17B10
SCHEMBL26569892 0.82 KDM4E (0.50) ALDH1A1KDM4EMAPTRXFP1CYP2A6
SCHEMBL14985338 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTRXFP1HSD17B10
SCHEMBL14985335 0.78 PRKCI (0.45) ALDH1A1KDM4EMAPTRXFP1HSD17B10
SCHEMBL17426202 0.77 KDM4E (0.46) ALDH1A1KDM4EMAPTRXFP1CYP2A6
SCHEMBL12278359 0.77 KDM4E (0.46) ALDH1A1KDM4EMAPTRXFP1CYP2A6
SCHEMBL21757326 0.75 NQO2 (0.55) ALDH1A1KDM4EMAPTRXFP1NQO2
SCHEMBL25798838 0.75 CSNK1D (0.49) ALDH1A1KDM4EMAPTHSD17B10CYP2A6
SCHEMBL21757327 0.72 KDM4E (0.41) ALDH1A1KDM4EMAPTRXFP1NQO2
SCHEMBL29959144 0.72 HTR2A (0.50) ALDH1A1KDM4EMAPTRXFP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 ALDH1A1 1002/4885KDM4E 1835/4885MAPT 2127/4885

“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.