SCHEMBL7523213

SCHEMBL7523213

COc1c(C)cc(C)cc1CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.41
GPR17 Q13304 1/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
IMPDH2 P12268 4/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
KMT2A Q03164 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7796518 0.83 NPSR1 (0.50) NPSR1POLBALDH1A1IMPDH2FFAR1
SCHEMBL14874444 0.83 CYP4F2 (0.48) ALDH1A1KMT2A
SCHEMBL3669296 0.82 NPSR1 (0.52) NPSR1ALDH1A1THRATHRBFFAR1
SCHEMBL678055 0.82 ACHE (0.44) ALDH1A1KMT2A
SCHEMBL7792834 0.81 NPSR1 (0.45) NPSR1POLBALDH1A1IMPDH2PTGER1
SCHEMBL10835043 0.78 ACHE (0.48) POLBIMPDH2KMT2A
SCHEMBL28094428 0.77 ALDH1A1 (0.38) ALDH1A1KMT2A
SCHEMBL23964581 0.77 PTGER4 (0.60) NPSR1POLBTHRATHRBFFAR1
SCHEMBL20754276 0.77 IMPDH2 (0.65) NPSR1POLBIMPDH2FFAR1KMT2A
SCHEMBL25283552 0.76 POLB (0.47) NPSR1POLBALDH1A1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR NPSR1 64/4885POLB 2936/4885ALDH1A1 1662/4885

“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.