SCHEMBL2952197

SCHEMBL2952197

COc1cc(C)cc(-c2cc(C)cc(OC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP1A1 P04798 5/20 0.52
CYP1B1 Q16678 5/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2E1 P05181 2/20 0.52
CYP2C8 P10632 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2A6 P11509 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP4B1 P13584 2/20 0.52
CYP2B6 P20813 2/20 0.52
CYP3A5 P20815 2/20 0.52
CYP2A7 P20853 2/20 0.52
CYP3A7 P24462 2/20 0.52
CYP2F1 P24903 2/20 0.52
CYP2C18 P33260 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2J2 P51589 2/20 0.52
CYP4F2 P78329 2/20 0.52

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
SCHEMBL16140269 0.90 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL7241617 0.87 CYP1A1 (0.57) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL29698794 0.87 CYP1A1 (0.57) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL12501 0.85 ALDH1A1 (0.73) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL145855 0.85 ALDH1A1 (0.62) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL29698801 0.83 ABL1 (0.50) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL28533081 0.83 ABL1 (0.50) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL21586162 0.83 ABL1 (0.50) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL29587173 0.82 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL2954516 0.82 ALDH1A1 (0.79) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US disclosed
EP-1470136-B1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AG (DE) 2007-03-28 EP disclosed
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
EP-1472201-A2 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2004-11-03 EP disclosed
EP-1470136-A1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2004-10-27 EP disclosed
WO-2003062171-A2 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2003-07-31 WO disclosed
WO-2003062251-A1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2003-07-31 WO 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-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B ALDH1A1 4228/4885CYP1A1 4876/4885CYP1B1 4836/4885

“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.