SCHEMBL253650

SCHEMBL253650

O=C(O)Cc1c2c(c3ccccn13)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.49
CYP2C9 P11712 2/20 0.49
PTGDR Q13258 2/20 0.49
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PTGS2 P35354 1/20 0.40
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
GRK2 P25098 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HPGD P15428 1/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL253563 0.77 PTGDR2 (0.49) PTGDR2CYP2C9PTGDRKDM4EKMT2A
SCHEMBL7320423 0.68 MEN1 (0.44) KDM4EKMT2AMEN1HSD17B10GLA
SCHEMBL15428825 0.65 PTGDR2 (0.56) PTGDR2CYP2C9PTGDRCYP3A4KDM4E
SCHEMBL15428832 0.65 PTGDR2 (0.47) PTGDR2CYP2C9PTGDRCYP3A4KDM4E
SCHEMBL16156201 0.62 KMT2A (0.58) KDM4EKMT2AHSD17B10ALDH1A1PTGS2
SCHEMBL14631371 0.61 PTGDR2 (0.51) PTGDR2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL6686729 0.61 NTRK1 (0.58) CYP2C9KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4037511 0.61 KDM4E (1.00) PTGDR2CYP2C9PTGDRKDM4EKMT2A
SCHEMBL3229293 0.60 AKR1B1 (0.42) KDM4EKMT2AMEN1ALDH1A1PTGS2
SCHEMBL3230868 0.60 AKR1B1 (0.47) PTGDR2CYP2C9KDM4EKMT2AMEN1

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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP2C9 817/4885PTGDR 1/4885

“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.