SCHEMBL729691

SCHEMBL729691

[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP2A6 P11509 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
WDR5 P61964 1/20 0.41
HPRT1 P00492 1/20 0.39
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
DNMT1 P26358 1/20 0.36
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CES1 P23141 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.33
CYP1A2 P05177 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
SCHEMBL31125726 1.00 ALDH1A1 (0.42) ALDH1A1CYP2A6TDP1HSD17B10TSHR
Hydrochloric Acid SCHEMBL2295428 0.98 ALDH1A1 (0.41) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL146878 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL29496111 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL5107 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL10323632 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL29350037 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL356363 0.96 ALDH1A1 (0.42) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL3416712 0.96 ALDH1A1 (0.42) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL16180526 0.96 ALDH1A1 (0.42) ALDH1A1CYP2A6TDP1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689314-B2 Methods for preparing bridged bi-aromatic ligands UNIVATION TECHNOLOGIES, LLC (US) 2020-06-23 US claimed
EP-3632920-A1 METHODS FOR PREPARING BRIDGED BI-AROMATIC LIGANDS Univation Technologies, LLC (US) 2020-04-08 EP claimed
US-20180141883-A1 METHODS FOR PREPARING BRIDGED BI-AROMATIC LIGANDS UNIVATION TECHNOLOGIES, LLC (US) 2018-05-24 US claimed
WO-2014171931-A1 GRAPHENE NANORIBBONS AS SEMICONDUCTORS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-10-23 WO claimed
JP-2011524383-A 2011-09-01 JP claimed
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2011-05-19 US claimed
EP-2315588-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS Rottapharm S.p.A. (IT) 2011-05-04 EP claimed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO claimed
WO-2021117767-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROARYLCARBOXAMIDE ACETIC ACID DERIVATIVE 田辺三菱製薬株式会社 2021-06-17 WO disclosed
EP-3288953-B1 BIS(AMINOPHENYLPHENOL) LIGANDS AND TRANSITION METAL COMPOUNDS PREPARED THEREFROM UNIVATION TECH LLC (US) 2021-01-06 EP disclosed
US-10793557-B2 Sting agonist compounds MERCK SHARP & DOHME CORP. (US) 2020-10-06 US disclosed
US-10696641-B2 Bis(aminophenylphenol) ligands and transition metal catalysts prepared therefrom UNIVATION TECHNOLOGIES, LLC (US) 2020-06-30 US disclosed
US-10689314-B2 Methods for preparing bridged bi-aromatic ligands UNIVATION TECHNOLOGIES, LLC (US) 2020-06-23 US disclosed
US-10654029-B2 Bridged bi-aromatic ligands and olefin polymerization catalysts prepared therefrom UNIVATION TECHNOLOGIES, LLC (US) 2020-05-19 US disclosed
WO-2006103453-A1 IN SITU GENERATED ASYMMETRIC PALLADIUM CATALYST AND USES THEREOF IC INNOVATIONS LIMITED (GB) 2006-10-05 WO disclosed
EP-0937077-B1 PYRIDONE-FUSED AZABICYCLIC- OR CYTISINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN ADDICTION THERAPY PFIZER (US) 2006-05-17 EP disclosed
WO-2005111047-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 WO disclosed
US-6630467-B2 Therapy for drug abuse PFIZER INC. 2003-10-07 US disclosed
US-20030065173-A1 Pyridone-fused azabicyclic- or cytisine derivatives, their preparation and their use in addiction therapy O'NEILL BRIAN T (US) 2003-04-03 US disclosed
US-6235734-B1 TOBACCO ADDICTION PFIZER INC 2001-05-22 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 (7 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-10696641-B2 Bis(aminophenylphenol) ligands and transition metal catalysts prepared therefrom WASF2, WEE2, THEM6 ALDH1A1 2023/4885CYP2A6 560/4885TDP1 3693/4885
US-20110118289-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS OPRM1, OPRD1, HTR3C ALDH1A1 285/4885CYP2A6 143/4885TDP1 2919/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 ALDH1A1 4795/4885CYP2A6 3504/4885TDP1 518/4885
US-10689314-B2 Methods for preparing bridged bi-aromatic ligands TYR, AOC2, BICRA ALDH1A1 1187/4885CYP2A6 187/4885TDP1 2775/4885
US-10654029-B2 Bridged bi-aromatic ligands and olefin polymerization catalysts prepared therefrom WASF2, WEE2, PICALM ALDH1A1 1801/4885CYP2A6 761/4885TDP1 2207/4885
US-20030065173-A1 Pyridone-fused azabicyclic- or cytisine derivatives, their preparation and their use in addiction therapy CHRNA5, CHRNA4, CHRNA10 ALDH1A1 488/4885CYP2A6 370/4885TDP1 45/4885
US-20180141883-A1 METHODS FOR PREPARING BRIDGED BI-AROMATIC LIGANDS TYR, AOC2, BICRA ALDH1A1 1187/4885CYP2A6 187/4885TDP1 2775/4885

“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.