SCHEMBL5330368

SCHEMBL5330368

NC(=O)CCC[CH]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
TOP1 P11387 1/20 0.40
HTT P42858 1/20 0.40
CYP2A6 P11509 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.39
PAM P19021 1/20 0.38
MCL1 Q07820 1/20 0.38
RECQL P46063 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 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
SCHEMBL4986436 0.94 TBXAS1 (0.47) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL7916077 0.92 TBXAS1 (0.46) TBXAS1LMNAMAPTKDM4ECYP1A2
SCHEMBL4990558 0.92 TBXAS1 (0.46) TBXAS1LMNAMAPTKDM4ECYP1A2
SCHEMBL5329189 0.90 ALDH1A1 (0.41) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL5328507 0.86 TOP1 (0.53) TBXAS1ALDH1A1MAPTTOP1SMN1; SMN2
SCHEMBL9220329 0.82 LMNA (0.41) ALDH1A1LMNATOP1CYP2A6PKM
SCHEMBL7917269 0.81 PAM (0.53) TBXAS1ALDH1A1LMNAMAPTTOP1
SCHEMBL4985322 0.81 HSD17B10 (0.43) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL13358888 0.80 ALDH1A1 (0.52) ALDH1A1LMNACYP1A2CYP2D6PKM
SCHEMBL297997 0.80 PPARA (0.51) TBXAS1ALDH1A1MAPTTOP1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US claimed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO claimed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 TBXAS1 864/4885ALDH1A1 1759/4885LMNA 4460/4885

“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.