SCHEMBL18325193

SCHEMBL18325193

Cc1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 7/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 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
SCHEMBL18325336 1.00 CYP1A1 (0.48) CYP1A1CYP1A2CYP1B1L3MBTL1NPC1
SCHEMBL20243220 0.94 CYP1A1 (0.48) CYP1A1CYP1A2CYP1B1L3MBTL1NPC1
SCHEMBL24661347 0.92 L3MBTL1 (0.47) CYP1A1CYP1A2CYP1B1L3MBTL1NPC1
SCHEMBL20243218 0.92 CYP1A1 (0.45) CYP1A1CYP1A2CYP1B1L3MBTL1NPC1
SCHEMBL18327562 0.92 MEN1 (0.46) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL18878315 0.92 MEN1 (0.46) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL16407368 0.92 MEN1 (0.46) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL18878319 0.92 MEN1 (0.46) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL25660893 0.92 MEN1 (0.46) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL20152282 0.90 CYP1A1 (0.46) CYP1A1CYP1A2CYP1B1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 — — US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 — — 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 CYP1A1 49/4885CYP1A2 74/4885CYP1B1 105/4885

“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.

Send feedback