SCHEMBL30130749

SCHEMBL30130749

Fc1ccc(Cc2cc3c(s2)COCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.41
PDE1B Q01064 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA1D P25100 2/20 0.33
HTR2C P28335 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL19441931 0.73 KCNH2 (0.35) KCNH2
SCHEMBL30618861 0.69 PTGER4 (0.65) PTGER4ANO1
SCHEMBL14930416 0.65 PNMT (0.43) RAB9A
SCHEMBL5455584 0.65 LIMK1 (0.38)
SCHEMBL19835515 0.63 CA1 (0.39) HTR2CNPC1RAB9A
SCHEMBL31246225 0.63 CA1 (0.39) HTR2CNPC1RAB9A
SCHEMBL9122886 0.63 CA1 (0.39) HTR2CNPC1RAB9A
SCHEMBL16584601 0.62 PARP1 (0.37) HTR2CNPC1RAB9A
SCHEMBL14925534 0.62 PRKDC (0.36)
SCHEMBL22817550 0.62 PRKDC (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590103-B2 Polymorph of EP4 receptor antagonist, preparation method therefor and use thereof Shanghai Yuyao Biotech Ltd. (CN) 2026-03-31 US disclosed
CN-113087719-B Polymorphic substance of EP4 receptor antagonist and preparation method and application thereof 上海宇耀生物科技有限公司 2024-01-26 CN disclosed
CN-113087719-B Polymorphic substance of EP4 receptor antagonist and preparation method and application thereof 上海宇耀生物科技有限公司 2024-01-26 CN disclosed
US-20230074179-A1 POLYMORPH OF EP4 RECEPTOR ANTAGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Yuyao Biotech Ltd. (CN) 2023-03-09 US disclosed
EP-4101854-A1 POLYMORPH OF EP4 RECEPTOR ANTAGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Yuyao Biotech Ltd. (CN) 2022-12-14 EP 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 (2 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-20230074179-A1 POLYMORPH OF EP4 RECEPTOR ANTAGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF PTGER4, PTGER1, FFAR4 PTGER4 1/4885PDE1B 886/4885KDM4E 2304/4885
US-12590103-B2 Polymorph of EP4 receptor antagonist, preparation method therefor and use thereof PTGER4, PTGER1, FFAR4 PTGER4 1/4885PDE1B 1141/4885KDM4E 2341/4885

“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.