SCHEMBL2807577

SCHEMBL2807577

O=C(Nc1cc(C(=O)OC2CCCCC2)cc(C(=O)OC2CCCCC2)c1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
MGLL Q99685 1/20 0.52
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 3/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
RAD51 Q06609 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9002156 0.85 NSD2 (0.51) FAAHMGLLALDH1A1RAB9AMAPT
SCHEMBL9002443 0.85 NSD2 (0.51) FAAHMGLLALDH1A1RAB9AMAPT
SCHEMBL2807263 0.84 FAAH (0.55) FAAHMGLLALDH1A1RAB9ACYP1A2
SCHEMBL2810182 0.81 CYP1A2 (0.63) ALDH1A1RAB9ACYP1A2MAPTSMN1; SMN2
SCHEMBL2813391 0.78 CYP1A2 (0.64) ALDH1A1RAB9ACYP1A2MAPTSMN1; SMN2
SCHEMBL18430545 0.78 STS (0.57) ALDH1A1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL2808736 0.76 CYP1A2 (0.65) ALDH1A1RAB9ACYP1A2MAPTSMN1; SMN2
SCHEMBL9149753 0.76 MAPT (0.50) FAAHMGLLALDH1A1RAB9ACYP1A2
SCHEMBL2807866 0.76 HSD17B10 (0.57) FAAHMGLLALDH1A1RAB9ACYP1A2
Methyl Alcohol SCHEMBL17065506 0.76 STS (0.55) ALDH1A1RAB9AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B FAAH 2869/4885MGLL 4320/4885ALDH1A1 401/4885

“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.