SCHEMBL3887008

SCHEMBL3887008

CCOC(=O)CCc1ccc(OC2CCCC2)c(-c2ccc(N)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
S1PR1 P21453 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
ADRB3 P13945 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
P2RX3 P56373 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL3887540 0.99 HRH3 (0.44) HRH3CYP4F2CYP4A11S1PR1HDAC1
SCHEMBL3882703 0.86 HRH3 (0.43) HRH3CYP4F2CYP4A11S1PR1PDE3B
SCHEMBL3891603 0.83 PDE3B (0.41) HRH3S1PR1PDE3BPDE3AP2RY12
SCHEMBL3882087 0.82 PDE3B (0.41) HRH3S1PR1PDE3BPDE3AP2RY12
SCHEMBL3888753 0.80 THRA (0.48) HRH3CYP4F2CYP4A11HDAC1HDAC2
SCHEMBL3887590 0.80 CYP4F2 (0.47) CYP4F2CYP4A11HDAC1HDAC2PDE3B
SCHEMBL3682148 0.80 HDAC1 (0.42) HRH3S1PR1HDAC1HDAC2PDE4A
SCHEMBL3884897 0.79 THRA (0.50) HRH3CYP4F2CYP4A11HDAC1HDAC2
SCHEMBL27536403 0.78 PTPN1 (0.54) HRH3HDAC1HDAC2PDE4APDE4B
SCHEMBL7735879 0.78 PTPN1 (0.53) HRH3HDAC1HDAC2PDE4APDE4B

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 HRH3 533/4885CYP4F2 2961/4885CYP4A11 385/4885

“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.