SCHEMBL369327

SCHEMBL369327

Brc1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.50
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHFR P00374 1/20 0.42
CES1 P23141 1/20 0.42
TYMP P19971 1/20 0.41
HPRT1 P00492 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.41
GSK3B P49841 1/20 0.41
ADK P55263 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL30125426 1.00 DNMT1 (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL10384451 0.88 DNMT1 (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30361992 0.84 ALDH1A1 (0.55) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1239327 0.84 ALDH1A1 (0.55) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29316376 0.83 DNMT1 (0.40) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL24316338 0.82 CYP2A6 (0.47) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL28769245 0.82 DNMT1 (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL18174238 0.82 POLB (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL15158529 0.82 CYP1A2 (0.47) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL21252665 0.80 ALDH1A1 (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292480-A Condensed ring aromatic amine compound and organic electroluminescent display device comprising the same 上海钥熠电子科技有限公司 2021-08-24 CN disclosed
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed
EP-2593226-B1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE IRELAND UNLIMITED CO (IE) 2018-11-14 EP disclosed
CN-105981192-B System for forming electroactive layer E.I.内穆尔杜邦公司 2018-10-16 CN disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
CN-104475066-B High performance liquid chromatography separating column suitable for amino acid chiral resolution 云南师范大学 2017-04-26 CN disclosed
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-0839819-B1 Method of preparing optically active diphosphine ligands TAKASAGO PERFUMERY CO LTD (JP) 2003-09-17 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-5922918-A Method for making an optically active diphosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-07-13 US disclosed
EP-0839819-A1 Method of preparing optically active diphosphine ligands Takasago International Corporation (JP) 1998-05-06 EP 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-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 DNMT1 550/4885ALDH1A1 4611/4885HSD17B10 3389/4885

“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.