SCHEMBL9307974

SCHEMBL9307974

CCCCN(CCCC)C(=O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.62
LTB4R2 Q9NPC1 1/20 0.61
REN P00797 2/20 0.58
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL10032155 0.92 CNR2 (0.73) CNR2LTB4R2REN
SCHEMBL19405101 0.89 TDP1 (0.69) CNR2LTB4R2RENPOLBAPEX1
SCHEMBL13494187 0.85 CNR2 (0.62) CNR2LTB4R2RENPOLBAPEX1
SCHEMBL11164236 0.83 CNR2 (0.50) CNR2LTB4R2RENCYP1A2CYP3A4
SCHEMBL22566158 0.82 MC3R (0.58) CNR2REN
SCHEMBL3631071 0.82 POLB (0.60) CNR2LTB4R2RENPOLBAPEX1
SCHEMBL195224 0.81 LMNA (0.58) CNR2REN
SCHEMBL2721394 0.81 REN (0.69) CNR2LTB4R2RENPOLBAPEX1
SCHEMBL14229143 0.80 CA12 (0.57) LTB4R2TDP1
SCHEMBL1753870 0.80 HDAC6 (0.58) CNR2LTB4R2RENGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131335-A1 SURFACE ACTIVE ADJUVANT RHODIA OPERATIONS (FR) 2020-04-30 US disclosed
US-8822720-B2 Method for the organocatalytic activation of carboxylic acids for chemical, reactions using orthosubstituted arylboronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2014-09-02 US disclosed
US-8822720-B2 Method for the organocatalytic activation of carboxylic acids for chemical, reactions using orthosubstituted arylboronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2014-09-02 US disclosed
US-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-08-05 US disclosed
US-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-08-05 US disclosed
US-5328884-A Salicylic acid salt,and amide or sulfonamide as developer KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-07-12 US disclosed
US-5250108-A Mixture of salicylic acid salt, amide and sulfonamide compounds KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1993-10-05 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-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS AOC2, AOC3, OXER1 CNR2 1776/4885LTB4R2 1007/4885REN 1219/4885

“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.