SCHEMBL4079580

SCHEMBL4079580

O=C(CC(c1ccccc1)c1ccccc1)NC1(C(=O)O)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BCHE P06276 3/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TACR1 P25103 1/20 0.40
FABP4 P15090 1/20 0.40

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
SCHEMBL4074277 0.86 HPGD (0.48) LMNAPOLBHTTALDH1A1BCHE
SCHEMBL4459444 0.80 CTSB (0.47) LMNAPOLBHTTALDH1A1BCHE
SCHEMBL4248134 0.79 LMNA (0.64) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL4074503 0.79 ALDH1A1 (0.47) LMNAPOLBALDH1A1HPGDCYP3A4
SCHEMBL13671108 0.79 CYP3A4 (0.60) POLBMAPTHPGDCYP3A4CYP2C9
SCHEMBL1839710 0.78 ALDH1A1 (0.58) LMNAHTTALDH1A1MAPTCTSB
SCHEMBL4450861 0.77 LMNA (0.46) LMNAALDH1A1SMN1; SMN2
SCHEMBL4452561 0.76 CASR (0.55) LMNAHTTALDH1A1CYP3A4CYP2D6
SCHEMBL1839565 0.76 ALDH1A1 (0.47) POLBALDH1A1CYP2C9FABP4FABP5
SCHEMBL1837653 0.76 CTSB (0.67) HTTALDH1A1MAPTCYP2C19CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B LMNA 1219/4885POLB 2917/4885HTT 2253/4885

“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.