SCHEMBL4286820

SCHEMBL4286820

Nc1cc(-c2cc(Cl)ccc2OCc2ccccc2)cc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.50
AGPAT2 O15120 3/20 0.49
C5AR1 P21730 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.45
TBXA2R P21731 2/20 0.44

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
SCHEMBL5095747 0.80 BACE1 (0.54) PTGER1AGPAT2CYP2C9TBXA2R
SCHEMBL2111464 0.78 PTGER1 (0.55) PTGER1C5AR1CYP2C9CYP3A4TBXA2R
SCHEMBL2112850 0.76 PTGER1 (0.55) PTGER1C5AR1CYP2C9CYP3A4TBXA2R
SCHEMBL4882597 0.73 CYP2C9 (0.57) PTGER1CYP2C9CYP3A4
SCHEMBL4884388 0.71 PTGER1 (0.63) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL6639567 0.71 MPO (0.49) CYP3A4
SCHEMBL1988682 0.71 PTGER1 (0.60) PTGER1C5AR1CYP2C9TBXA2R
SCHEMBL5096000 0.70 PTGER1 (0.64) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL6430443 0.70 PTGER1 (0.53) PTGER1CYP2C9
SCHEMBL11884926 0.70 SLC6A4 (0.54) PTGER1

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-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 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-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT PTGER1 3890/4885AGPAT2 94/4885C5AR1 1858/4885

“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.