SCHEMBL6402808

SCHEMBL6402808

CC(C)(CC(O)(C(=O)Nc1cccc2[nH]ncc12)C(F)(F)F)c1ccc(Br)cc1O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.43
TRPV1 Q8NER1 17/20 0.43
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 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
SCHEMBL6404852 0.89 TRPV1 (0.43) DHPSTRPV1NPC1LMNACYP1A2
SCHEMBL6409205 0.83 NR3C1 (0.48) DHPSTRPV1
SCHEMBL6410296 0.73 NR3C1 (0.59) TRPV1NPC1LMNACYP1A2CYP3A4
SCHEMBL5800297 0.72 NR3C1 (0.48) DHPSTRPV1
SCHEMBL5777188 0.72 NR3C1 (0.49) TRPV1
SCHEMBL3693681 0.71 MAPT (0.55) LMNACYP1A2CYP3A4HPGDCYP2C19
SCHEMBL27497175 0.70 PGR (0.74)
SCHEMBL5796840 0.70 NR3C1 (0.55) DHPSTRPV1
SCHEMBL3649826 0.69 NR3C1 (0.58) CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL5802391 0.67 NR3C1 (0.69) TRPV1NPC1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 DHPS 198/4885TRPV1 743/4885NPC1 2574/4885

“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.