SCHEMBL7917864

SCHEMBL7917864

O=Cc1cc(NCCc2ccc(C(F)(F)F)cc2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.46
CNR1 P21554 1/20 0.44
FFAR1 O14842 1/20 0.44
RORC P51449 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 2/20 0.39
MTOR P42345 1/20 0.39
TRPA1 O75762 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL8231707 0.80 RORC (0.43) CNR1FFAR1RORCHDAC1HDAC8
SCHEMBL13618918 0.80 ESRRG (0.48) CNR1FFAR1RORCPLAAT3PLAAT5
SCHEMBL608498 0.79 KDM4C (0.53) CNR1FFAR1RORCPLAAT3PLAAT5
SCHEMBL4116154 0.78 KDM4C (0.52) CNR1FFAR1RORCPLAAT3PLAAT5
Potassium Ion SCHEMBL4116152 0.77 RORC (0.47) CNR1FFAR1RORCPLAAT3PLAAT5
SCHEMBL1581297 0.76 FFAR1 (0.57) CNR1FFAR1RORCHDAC1HDAC8
SCHEMBL1169878 0.76 EGFR (0.52) CNR1FFAR1RORC
SCHEMBL8071223 0.75 FFAR1 (0.54) CNR1FFAR1RORCHDAC1HDAC8
Sulfuric Acid SCHEMBL1170031 0.75 PPARA (0.49) CNR1FFAR1RORCPLAAT3PLAAT5
SCHEMBL3417227 0.75 CNR1 (0.46) CNR1FFAR1RORCPLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2012-11-29 US disclosed
WO-2010090494-A2 MEDICAL USE OF 5-BENZYLAMINOSALICYLIC ACID DERIVATIVES OR SALTS THEREOF 주식회사 뉴로테크 (KR) 2010-08-12 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-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 CDK1 286/4885CNR1 3748/4885FFAR1 1040/4885

“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.