SCHEMBL1128820

SCHEMBL1128820

C(=CP(c1ccccc1)c1ccccc1)CCCCCC=CP(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
FAAH O00519 1/20 0.31
EPHX2 P34913 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAOB P27338 1/20 0.31
TOP1 P11387 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL15527648 0.86 CYP1A2 (0.37) CYP3A4SOAT2SOAT1FAAHEPHX2
SCHEMBL15527382 0.81 CYP3A4 (0.33) CYP3A4TDP1MAOB
SCHEMBL9861825 0.79 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL9861833 0.79 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL1652690 0.76 CYP3A4 (0.36) CYP3A4TDP1MAOB
SCHEMBL15364455 0.76 CYP3A4 (0.36) CYP3A4TDP1MAOBESR1ESR2
SCHEMBL14819091 0.76 CYP3A4 (0.36) CYP3A4TDP1MAOB
SCHEMBL1652688 0.76 CYP3A4 (0.36) CYP3A4TDP1MAOB
SCHEMBL28750858 0.76 CYP3A4 (0.36) CYP3A4TDP1MAOB
SCHEMBL14262345 0.76 CYP3A4 (0.36) CYP3A4TDP1MAOBESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282986-B1 METHOD FOR PRODUCING AROMATIC AND HETEROAROMATIC CARBOXYLIC ACIDS, CARBOXYLIC ACID ESTERS AND CARBOXYLIC ACID AMIDES BASF SE (DE) 2017-04-19 EP disclosed
US-8703992-B2 Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides BASF SE (DE) 2014-04-22 US disclosed
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides BASF SE (DE) 2011-07-14 US disclosed
EP-2282986-A1 METHOD FOR PRODUCING AROMATIC AND HETEROAROMATIC CARBOXYLIC ACIDS, CARBOXYLIC ACID ESTERS AND CARBOXYLIC ACID AMIDES BASF SE (DE) 2011-02-16 EP disclosed
WO-2009144197-A1 METHOD FOR PRODUCING AROMATIC AND HETEROAROMATIC CARBOXYLIC ACIDS, CARBOXYLIC ACID ESTERS AND CARBOXYLIC ACID AMIDES BASF SE (DE) 2009-12-03 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-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides CBR3, HRH3, HRH4 CYP3A4 193/4885TDP1 2635/4885SOAT2 2028/4885

“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.