SCHEMBL4170694

SCHEMBL4170694

CCOC(=O)c1cc(C2=C(c3cc(Br)cnc3OCc3c(F)cc(F)cc3F)CCC2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
JMJD6 Q6NYC1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRK1 P41145 1/20 0.34
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4149960 0.91 PTGER1 (0.42) PTGER1CYP2C9TSHRNPC1RAB9A
SCHEMBL4161765 0.90 PTGER1 (0.47) PTGER1CYP2C9TSHRNPC1RAB9A
SCHEMBL4154717 0.89 PTGER1 (0.43) PTGER1CYP2C9
SCHEMBL4159104 0.88 GRM7 (0.40) PTGER1CYP2C9TSHRNPC1RAB9A
SCHEMBL4162650 0.87 PTGER1 (0.41) PTGER1CYP2C9TSHRNPC1RAB9A
SCHEMBL4164430 0.86 PTGER1 (0.42) PTGER1CYP2C9NPC1RAB9AALDH1A1
SCHEMBL4151690 0.84 PTGER1 (0.40) PTGER1CYP2C9ALDH1A1MAPTGAA
SCHEMBL13696911 0.84 PTGER1 (0.51) PTGER1CYP2C9MEN1KMT2A
SCHEMBL4162616 0.82 PTGER1 (0.41) PTGER1CYP2C9NPC1RAB9AMEN1
SCHEMBL4147281 0.82 PTGER1 (0.47) PTGER1CYP2C9

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-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B PTGER1 246/4885CYP2C9 5/4885TSHR 479/4885

“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.