SCHEMBL29705585

SCHEMBL29705585

CC(C)Oc1cccc(C2(C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTGER4 P35408 7/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ LMNA P02545 2/20 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
SCHEMBL23164167 1.00 ALDH1A1 (0.51) ALDH1A1TP53HTTPOLBRXRA
SCHEMBL23164169 1.00 ALDH1A1 (0.51) ALDH1A1TP53HTTPOLBRXRA
SCHEMBL23163736 0.91 ALDH1A1 (0.47) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL23163738 0.91 ALDH1A1 (0.47) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL28749471 0.87 ALDH1A1 (0.46) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL29705535 0.87 ALDH1A1 (0.46) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL28749473 0.87 ALDH1A1 (0.46) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL23164193 0.87 ALDH1A1 (0.48) ALDH1A1TP53HTTPOLBRXRA
SCHEMBL23164192 0.87 ALDH1A1 (0.48) ALDH1A1TP53HTTPOLBRXRA
SCHEMBL29705715 0.87 ALDH1A1 (0.48) ALDH1A1TP53HTTPOLBRXRA

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 687/4885TP53 4195/4885HTT 4488/4885
US-20220378772-A1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER2 ALDH1A1 950/4885TP53 3844/4885HTT 4288/4885

“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.

Send feedback