SCHEMBL7056819

SCHEMBL7056819

CCCCCCc1ccc(NC(=O)CC(C)=O)cc1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.88
THRA P10827 3/20 0.62
THRB P10828 3/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.58
SPHK1 Q9NYA1 7/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
S1PR1 P21453 1/20 0.57

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 1.00 POLB (0.88) POLBTHRATHRBNPC1RAB9A
SCHEMBL7057797 0.98 POLB (0.91) POLBTHRATHRBNPC1RAB9A
SCHEMBL9429642 0.94 POLB (1.00) POLBTHRATHRBNPC1RAB9A
SCHEMBL5551950 0.87 POLB (0.81) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8626264 0.86 ALDH1A1 (0.67) POLBTHRATHRBNPC1RAB9A
SCHEMBL25269210 0.86 ENPP2 (0.69) POLBTHRATHRBNPC1RAB9A
SCHEMBL27909135 0.86 ENPP2 (0.69) POLBTHRATHRBNPC1RAB9A
SCHEMBL11297385 0.85 THRA (0.68) POLBTHRATHRBSPHK1CA12
SCHEMBL6746649 0.85 THRA (0.68) POLBTHRATHRBSPHK1CA12
SCHEMBL3027338 0.85 THRA (0.68) POLBTHRATHRBSPHK1CA12

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 4804/4885THRA 3607/4885THRB 3858/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 POLB 4439/4885THRA 441/4885THRB 295/4885

“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.