SCHEMBL4922374

SCHEMBL4922374

Nc1c(-c2ccccc2)cccc1-c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TNF P01375 1/20 0.44

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
SCHEMBL1718300 0.98 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL29177952 0.94 CA12 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL28706779 0.93 CA12 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL31656349 0.92 CA12 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL28596645 0.92 CA12 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL5028458 0.88 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA9
SCHEMBL623148 0.86 TNF (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL29463735 0.86 TNF (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL29732781 0.86 TNF (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL867854 0.86 TNF (0.52) ALDH1A1CA12CA1CA2CA9

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-9023490-B2 Extended pi-conjugated platinum (II) complexes VERSITECH LIMITED (CN) 2015-05-05 US claimed
US-20080309227-A1 EXTENDED PI-CONJUGATED PLATINUM (II) COMPLEXES VERSITECH LIMITED (CN) 2008-12-18 US claimed
EP-3342774-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-06-23 EP disclosed
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-03-12 US disclosed
EP-3342774-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-04 EP disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 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-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 ALDH1A1 242/4885CA12 1870/4885CA1 2798/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 ALDH1A1 242/4885CA12 1870/4885CA1 2798/4885
US-20080309227-A1 EXTENDED PI-CONJUGATED PLATINUM (II) COMPLEXES LIG4, PARG, PARN ALDH1A1 3759/4885CA12 1671/4885CA1 2903/4885

“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.