SCHEMBL29705535

SCHEMBL29705535

CC(C)CCOc1cccc(C2(C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NR1H4 Q96RI1 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PTGER4 P35408 6/20 0.43
▸ PTGER2 P43116 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL28749471 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1NR1H4TP53HTT
SCHEMBL28749473 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1NR1H4TP53HTT
SCHEMBL27077973 0.92 ALDH1A1 (0.43) ALDH1A1NR1H4TP53HTTPOLB
SCHEMBL27077970 0.92 ALDH1A1 (0.43) ALDH1A1NR1H4TP53HTTPOLB
SCHEMBL29731124 0.92 ALDH1A1 (0.43) ALDH1A1NR1H4TP53HTTPOLB
SCHEMBL23164192 0.88 ALDH1A1 (0.48) ALDH1A1TP53HTTPTGER4POLB
SCHEMBL29705715 0.88 ALDH1A1 (0.48) ALDH1A1TP53HTTPTGER4POLB
SCHEMBL23164193 0.88 ALDH1A1 (0.48) ALDH1A1TP53HTTPTGER4POLB
SCHEMBL23164167 0.87 ALDH1A1 (0.51) ALDH1A1NR1H4TP53HTTPTGER4
SCHEMBL23164169 0.87 ALDH1A1 (0.51) ALDH1A1NR1H4TP53HTTPTGER4

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-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists DOMAIN THERAPEUTICS (FR) 2026-01-20 — — US disclosed
US-20220378772-A1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-12-01 — — US disclosed
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 — — CN 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-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists PTGER1, PTGER4, PTGER3 ALDH1A1 687/4885MAPK1 1478/4885NR1H4 395/4885
US-20220378772-A1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER2 ALDH1A1 950/4885MAPK1 966/4885NR1H4 225/4885

“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.

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