SCHEMBL3075389

SCHEMBL3075389

c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32

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
SCHEMBL1577062 1.00 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2
SCHEMBL14927229 0.89 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL27343 0.89 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2
SCHEMBL4450096 0.87 CYP3A4 (0.32) CYP3A4TDP1
Phosphine SCHEMBL25423478 0.86 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2
SCHEMBL723376 0.86 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2
SCHEMBL9803491 0.86 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2
SCHEMBL22749137 0.86 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2
SCHEMBL1705969 0.86 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2
SCHEMBL8850573 0.86 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4289809-A DEACTIVATION FOR BETTER SEPARATION OF POLAR COMPOUNDS SCM CORPORATION (US) 1981-09-15 US claimed
US-4209554-A PHOSPHONIUM SALTS SCM CORPORATION (US) 1980-06-24 US claimed
EP-3583211-B1 METHOD FOR THE SYNTHESIS OF DNA CONJUGATES BY MICELLAR CATALYSIS UNIV DORTMUND TECH (DE) 2024-04-10 EP disclosed
US-11407993-B2 Method for the synthesis of DNA conjugates by micellar catalysis TECHNISCHE UNIVERSITAET DORTMUND (DE) 2022-08-09 US disclosed
US-20220002712-A1 METHOD FOR THE SYNTHESIS OF DNA CONJUGATES BY MICELLAR CATALYSIS TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2022-01-06 US disclosed
EP-1753708-B1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2018-02-21 EP disclosed
US-8841477-B2 Sirtuin activating compounds and processes for making the same BRIGHAM YOUNG UNIVERSITY (US) 2014-09-23 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY (US) 2010-07-22 US disclosed
US-7714161-B2 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY (US) 2010-05-11 US disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-1992006059-A1 PROCESS FOR MAKING OLEFINS HENKEL RESEARCH CORPORATION (US) 1992-04-16 WO disclosed
US-5077447-A Decarbonylation of mixture of acid and anhydride using Group 8 metal or copper catalyst HENKEL RESEARCH CORPORATION (US) 1991-12-31 US disclosed
US-4289809-A DEACTIVATION FOR BETTER SEPARATION OF POLAR COMPOUNDS SCM CORPORATION (US) 1981-09-15 US disclosed
US-4209554-A PHOSPHONIUM SALTS SCM CORPORATION (US) 1980-06-24 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-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME SIRT1, SIRT2, SIRT3 CYP3A4 1022/4885TDP1 4448/4885ESR1 1191/4885

“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.