SCHEMBL7057797

SCHEMBL7057797

CCCCCc1ccc(NC(=O)CC(C)=O)cc1

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.91
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
THRA P10827 3/20 0.60
THRB P10828 3/20 0.60
ALDH1A1 P00352 1/20 0.60
SPHK1 Q9NYA1 7/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
S1PR1 P21453 1/20 0.55

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
SCHEMBL13239485 0.98 POLB (0.88) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7056819 0.98 POLB (0.88) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL9429642 0.95 POLB (1.00) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5551950 0.88 POLB (0.81) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL9312715 0.86 POLB (0.84) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL27663784 0.85 HPGD (0.67) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5546226 0.85 POLB (0.66) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10629644 0.84 POLB (0.70) POLBALDH1A1S1PR1
SCHEMBL8626264 0.84 ALDH1A1 (0.67) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL25269210 0.84 ENPP2 (0.69) POLBNPC1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 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 (2 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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 POLB 4804/4885NPC1 1526/4885RAB9A 3568/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 POLB 4439/4885NPC1 708/4885RAB9A 2019/4885

“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.