SCHEMBL23163608

SCHEMBL23163608

COC(=O)c1ccc([C@H](C)NC(=O)C2(c3ccc(OCCCc4ccccc4)cc3)CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ HTT P42858 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ HPGD P15428 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
SCHEMBL23163611 1.00 ALDH1A1 (0.47) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL23164065 0.96 ALDH1A1 (0.47) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL23164063 0.96 ALDH1A1 (0.47) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL23163942 0.93 POLB (0.48) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL23163938 0.93 POLB (0.48) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL27078201 0.90 ALDH1A1 (0.49) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL27078197 0.90 ALDH1A1 (0.49) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL23163376 0.89 ALDH1A1 (0.49) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL27077981 0.83 POLB (0.44) ALDH1A1HTTTP53POLBCYP2C9
SCHEMBL27077978 0.83 POLB (0.44) ALDH1A1HTTTP53POLBCYP2C9

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 6 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
EP-4038052-B1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2024-02-07 — — EP disclosed
US-20220378772-A1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-12-01 — — US disclosed
EP-4038052-A2 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-08-10 — — EP disclosed
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 — — CN disclosed
WO-2021064189-A2 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-04-08 — — WO 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 687/4885HTT 4488/4885TP53 4195/4885
US-20220378772-A1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER2 ALDH1A1 950/4885HTT 4288/4885TP53 3844/4885

“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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