SCHEMBL3603939

SCHEMBL3603939

CCOc1ccc(-c2cccc(F)c2)c(C=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.48
AR P10275 4/20 0.43
GRM5 P41594 1/20 0.40
NLRP3 Q96P20 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 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
SCHEMBL3614065 0.84 ERN1 (0.51) ERN1ARCYP1A2CYP2D6CYP2C19
SCHEMBL3609274 0.84 ERN1 (0.52) ERN1ALDH1A1MAPT
SCHEMBL3613315 0.84 ERN1 (0.56) ERN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3614027 0.79 ERN1 (0.55) ERN1CYP3A4ALDH1A1MAPT
SCHEMBL3604651 0.78 ERN1 (0.43) ERN1ARNLRP3ALDH1A1
SCHEMBL6896479 0.77 FGFR1 (0.47) GRM5NLRP3CYP1A2CYP3A4CYP2D6
SCHEMBL3618296 0.75 ERN1 (0.56) ERN1CYP3A4ALDH1A1MAPTTHRB
SCHEMBL453334 0.75 ALDH1A1 (0.45) ERN1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3606927 0.74 ERN1 (0.45) ERN1ALDH1A1
SCHEMBL3611783 0.74 ERN1 (0.48) ERN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO claimed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 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-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ERN1 2349/4885AR 4715/4885GRM5 995/4885

“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.