SCHEMBL525029

SCHEMBL525029

[c]1cccc2cc3nnccc3cc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL17511851 0.95 ALDH1A1 (0.34) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL525030 0.79 NPC1 (0.46) ALDH1A1MAPT
SCHEMBL1094981 0.77 ALDH1A1 (0.50) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL29994991 0.77 ALDH1A1 (0.50) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL1044235 0.77 ALDH1A1 (0.32) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL756551 0.77 CYP2A6 (0.32)
SCHEMBL15124859 0.75 ALDH1A1 (0.48) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL15124134 0.75 ALDH1A1 (0.48) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL17511883 0.75 NPC1 (0.46) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL18832 0.75 ALDH1A1 (0.36) ALDH1A1GLAMAPTHPGDACHE

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
WO-2012013310-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2012-02-02 WO claimed
WO-2010149258-A1 POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING SAID POLYMERS, AND DEVICE COMPRISING SAID POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2010-12-29 WO claimed
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 ALDH1A1 448/4885GLA 790/4885MAPT 4371/4885

“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.