SCHEMBL24861978

SCHEMBL24861978

COC(=O)c1ccc(C2(N)CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.53
AKT2 P31751 7/20 0.53
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
TSHR P16473 1/20 0.46
PIM1 P11309 1/20 0.44

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
SCHEMBL18662857 0.97 AKT1 (0.50) AKT1AKT2ALDH1A1MAPTCA1
SCHEMBL871865 0.93 CA1 (0.52) AKT1AKT2ALDH1A1MAPTCA1
Hydrochloric Acid SCHEMBL871688 0.91 CA1 (0.50) AKT1AKT2ALDH1A1MAPTCA1
SCHEMBL2109932 0.87 STS (0.49) AKT1AKT2ALDH1A1MAPTCA1
SCHEMBL19331211 0.85 ALDH1A1 (0.50) AKT1AKT2ALDH1A1MAPTCA1
SCHEMBL19343523 0.81 NPC1 (0.48) ALDH1A1MAPTCA1CA2TDP1
SCHEMBL14292182 0.81 AKT1 (0.49) AKT1AKT2ALDH1A1LOXL2TSHR
SCHEMBL31237031 0.81 AKT1 (0.49) AKT1AKT2ALDH1A1LOXL2TSHR
SCHEMBL28670569 0.81 CA1 (0.50) ALDH1A1MAPTCA1CA2TDP1
SCHEMBL19343552 0.80 ALDH1A1 (0.44) ALDH1A1MAPTCA1CA2TDP1

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-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
EP-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 EP disclosed
EP-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 EP disclosed
CN-113354585-A Synthesis of novel EP4 antagonists and their use in cancer and inflammation 湖北生物医药产业技术研究院有限公司 2021-09-07 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 (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-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 AKT1 2730/4885AKT2 1900/4885ALDH1A1 1807/4885

“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.