SCHEMBL2448872

SCHEMBL2448872

[c]1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TAAR1 Q96RJ0 2/20 0.48
CYP1A2 P05177 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MMP3 P08254 1/20 0.48
BCL2L1 Q07817 1/20 0.48
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MGLL Q99685 1/20 0.42
KIF11 P52732 1/20 0.42
NOTUM Q6P988 1/20 0.41
ALOX5 P09917 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL27531830 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL27686621 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL27696029 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL27354214 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL25683 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL27623254 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL27623248 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL9334552 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL27686618 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL27623253 1.00 ALDH1A1 (0.56) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020241503-A1 RESIN COMPOSITION AND MOLDED ARTICLE THEREOF 株式会社ADEKA 2020-12-03 WO disclosed
EP-1640430-B1 Luminescent material and organic electroluminescent device using the same JNC CORP (JP) 2011-09-21 EP disclosed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP disclosed
CN-100340559-C Nitrogen containing heterobicycles as factor XA inhibitors DU PONT PHARM CO (US) 2007-10-03 CN disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 US disclosed
EP-0988037-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-03-29 EP disclosed
WO-1998033503-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-08-06 WO disclosed
US-5235061-A 2,4-disilaalkanes; agriculture KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-08-10 US disclosed
US-4536400-A VIRICIDES ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1985-08-20 US disclosed
US-4525202-A Phosphonium salts of N-phosphonomethylglycine and their use as herbicides and plant growth regulants STAUFFER CHEMICAL CO. (US) 1985-06-25 US disclosed
US-4438020-A CARBONYLATION, HYDROGENATION GULF RESEARCH & DEVELOPMENT COMPANY (US) 1984-03-20 US disclosed
US-4361706-A FROM METHANOL, HYDROGEN AND CARBON MONOXIDE IN PRESENCE OF COBALT,IODINE AND PHOSPHORUS COMPOUND GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-11-30 US disclosed
US-4352947-A METHANOL; CARBON MONOXIDE; HYDROGEN; COBALT; IODINE; RUTHENIUM; AND PHOSPHORUS, NITROGEN, OR ARSENIC LIGAND GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 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-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 ALDH1A1 1227/4885TAAR1 683/4885CYP1A2 829/4885

“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.