SCHEMBL365419

SCHEMBL365419

Pc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TSHR P16473 5/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP2A6 P11509 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 3/20 0.41
PTPN1 P18031 1/20 0.41
ALPL P05186 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
HPRT1 P00492 1/20 0.40
POLB P06746 1/20 0.39
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 3/20 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
Water SCHEMBL7645621 0.98 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL9927300 0.85 CRHBP (0.36) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL25302086 0.84 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL27953 0.84 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL29350007 0.84 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL17836548 0.82 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL18174178 0.82 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
Ammonia Solution, Strong SCHEMBL3156160 0.82 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
Bromide SCHEMBL7106161 0.82 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL6077039 0.82 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024477-A Preparation method of aliphatic chain substituted biphenyl type or phenyl pyrrole type chiral monophosphine ligand 南京大学 2023-11-10 CN 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-104974822-B A kind of preparation method of anti-pressure and abrasion-proof lubricant 鲁克(中国)润滑油有限公司 2018-01-30 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
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
EP-2593226-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS Abbvie Inc. (US) 2013-05-22 EP disclosed
CN-103097027-A Phosphine ligands for catalytic reactions ABBVIE INC 2013-05-08 CN disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed
EP-1670860-B1 FLAME RETARDANT EPOXY PREPREGS, LAMINATES, AND PRINTED WIRING BOARDS OF ENHANCED THERMAL STABILITY ALBEMARLE CORP (US) 2007-04-04 EP disclosed
EP-1670860-A1 FLAME RETARDANT EPOXY PREPREGS, LAMINATES, AND PRINTED WIRING BOARDS OF ENHANCED THERMAL STABILITY ALBEMARLE CORPORATION (US) 2006-06-21 EP disclosed
WO-2005040277-A1 FLAME RETARDANT EPOXY PREPREGS, LAMINATES, AND PRINTED WIRING BOARDS OF ENHANCED THERMAL STABILITY ALBEMARLE CORPORATION (US) 2005-05-06 WO disclosed
US-20050075024-A1 Flame retardant epoxy prepregs, laminates, and printed wiring boards of enhanced thermal stability ALBEMARLE CORPORATION 2005-04-07 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 (2 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 ALDH1A1 4611/4885TSHR 3889/4885HSD17B10 3389/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA ALDH1A1 4364/4885TSHR 2675/4885HSD17B10 2735/4885

“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.