SCHEMBL3955072

SCHEMBL3955072

c1ccc(P(Cc2ccc3ccccc3c2-c2c(CP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
WDR5 P61964 1/20 0.39
HPRT1 P00492 1/20 0.37
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
DNMT1 P26358 1/20 0.34

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
SCHEMBL29447338 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL29695262 0.98 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1CYP2A6TSHR
Potassium SCHEMBL29695394 0.96 WDR5 (0.37) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL8020132 0.91 CYP2A6 (0.41) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL8056031 0.91 CES1 (0.36) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL8056374 0.89 MAPT (0.33) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL9014995 0.89 WDR5 (0.33) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL5828913 0.89 DNMT1 (0.37) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL8537985 0.89 DNMT1 (0.37) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL7776442 0.87 ALOX5 (0.36) ALDH1A1TDP1TSHRMAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3104970-B1 METHOD FOR REGENERATING SPENT HYDROFORMYLATION CATALYSTS OXEA GMBH (DE) 2018-03-28 EP claimed
US-8927776-B2 Method for hydroformylation of unsaturated compounds EVONIK DEGUSSA GMBH (DE) 2015-01-06 US claimed
US-20140024860-A1 METHOD FOR HYDROFORMYLATION OF UNSATURATED COMPOUNDS EVONIK OXENO GMBH (DE) 2014-01-23 US claimed
EP-0673944-B1 Process for preparing 2,2'-bis(diphenyl-phosphinylmethyl)-1,1'binaphtyl and novel compounds belonging to this group of substances CELANESE CHEM EUROPE GMBH (DE) 2001-08-16 EP claimed
US-6051743-A Process for the preparation of predominantly unbranched higher primary alcohols HOECHST AKTIENGESELLSCHAFT (DE) 2000-04-18 US claimed
EP-0571819-B1 Sulfonated 2,2'-bis(diphenylphosphinomethyl)-1,1'-binaphthalenes, process for their preparation and their use in a process for the hydroformylation of olefinic unsaturated compounds CELANESE GMBH (DE) 1998-11-11 EP claimed
EP-0446301-B1 PREPARATION OF BIARYL COMPOUNDS EASTMAN CHEM CO (US) 1994-11-23 EP claimed
EP-0602442-A2 Method for the production of higher primary alcohols, predominantly unbranched HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP claimed
EP-0571819-A1 Sulfonated 2,2'-bis(diphenylphosphinomethyl)-1,1'binaphthalenes, process for their preparation and their use in a process for the hydroformylation of olefinic unsaturated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-01 EP claimed
US-5061669-A Catalyst comprising anhydrous nickel compound, bidentate phosphorus-containing ligand, reducing metal EASTMAN KODAK COMPANY (US) 1991-10-29 US claimed
EP-0446301-A1 PREPARATION OF BIARYL COMPOUNDS. EASTMAN KODAK CO (US) 1991-09-18 EP claimed
EP-0376856-A1 Preparation of biaryl compounds EASTMAN KODAK COMPANY (US) 1990-07-04 EP claimed
WO-1990006295-A1 PREPARATION OF BIARYL COMPOUNDS EASTMAN KODAK COMPANY (US) 1990-06-14 WO claimed
US-4916227-A From aromatic halide using coordinating catalyst containing nickel, phosphorus containing ligand, and reducing metal EASTMAN KODAK COMPANY (US) 1990-04-10 US claimed
JP-7252279-A None JP disclosed
JP-6145181-A None JP disclosed
US-12630572-B2 Method for preparing sulfonated arylphosphine Hanwha Solutions Corporation (KR) 2026-05-19 US disclosed
EP-0050196-B1 PROCESS FOR THE PREPARATION OF PEPTIDES Degussa Aktiengesellschaft (DE) 1983-11-23 EP disclosed
EP-0050196-A1 Process for the preparation of peptides Degussa Aktiengesellschaft (DE) 1982-04-28 EP disclosed
US-4204997-A Asymmetric amination of 1,3-dienes MONSANTO COMPANY (US) 1980-05-27 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-12630572-B2 Method for preparing sulfonated arylphosphine TST, TPR, ALK ALDH1A1 706/4885HSD17B10 1621/4885TDP1 2543/4885
US-20140024860-A1 METHOD FOR HYDROFORMYLATION OF UNSATURATED COMPOUNDS HRH4, HRH3, HRH2 ALDH1A1 1480/4885HSD17B10 385/4885TDP1 4406/4885

“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.