SCHEMBL1944236

SCHEMBL1944236

CCOC(=O)Cc1ccc(OC)c(Oc2ccc([N+](=O)[O-])cc2CNCCC(=O)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HTT P42858 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 3/20 0.40
CDC25C P30307 1/20 0.40
POLB P06746 1/20 0.39
TTR P02766 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
ATM Q13315 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
SCHEMBL1011326 0.87 POLB (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL1007888 0.87 HTT (0.47) ALDH1A1TAAR1HTTCA12CA1
SCHEMBL1946100 0.85 ALDH1A1 (0.49) ALDH1A1TAAR1HTTKMT2AMEN1
SCHEMBL1943649 0.84 CYP3A4 (0.52) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL1944234 0.82 PTGDR2 (0.46) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL348004 0.81 TTR (0.53) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL1944128 0.81 PTGDR2 (0.45) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13521899 0.81 HTT (0.47) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL347720 0.81 HTT (0.47) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL347672 0.79 CYP3A4 (0.53) ALDH1A1HTTKMT2AMEN1MAPT

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-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 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-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 1769/4885TAAR1 271/4885HTT 4339/4885

“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.