SCHEMBL22431787

SCHEMBL22431787

CC(C)OC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3Cl)cc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.59
▸ HPGD P15428 7/20 0.59
▸ CA12 O43570 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ ALDH2 P05091 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.52
▸ RECQL P46063 2/20 0.52
▸ AR P10275 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ KCNA3 P22001 1/20 0.47
▸ RAB9A P51151 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ IGLV6-57 P01721 1/20 0.45

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
SCHEMBL30056759 1.00 ALDH1A1 (0.59) ALDH1A1HPGDCA12CA9ALDH2
SCHEMBL26503495 1.00 ALDH1A1 (0.59) ALDH1A1HPGDCA12CA9ALDH2
SCHEMBL30762868 0.89 ALDH1A1 (0.62) ALDH1A1HPGDCA12CA9ALDH2
SCHEMBL20839106 0.89 ALDH1A1 (0.62) ALDH1A1HPGDCA12CA9ALDH2
SCHEMBL20839174 0.89 ALDH1A1 (0.59) ALDH1A1HPGDALDH2KDM4ERECQL
SCHEMBL20839176 0.89 ALDH1A1 (0.59) ALDH1A1HPGDALDH2KDM4ERECQL
SCHEMBL30763026 0.89 ALDH1A1 (0.75) ALDH1A1HPGDCA12CA9ALDH2
SCHEMBL20839468 0.89 ALDH1A1 (0.75) ALDH1A1HPGDCA12CA9ALDH2
SCHEMBL20839066 0.89 ALDH1A1 (0.75) ALDH1A1HPGDCA12CA9ALDH2
SCHEMBL20839047 0.88 ALDH1A1 (0.58) ALDH1A1HPGDCA9ALDH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386261-B Coumarin derivatives, process for their preparation and their use in the treatment of cancer 利德发现中心有限责任公司 2024-03-22 — — CN claimed
CN-111386261-B Coumarin derivatives, process for their preparation and their use in the treatment of cancer 利德发现中心有限责任公司 2024-03-22 — — CN disclosed
US-11111238-B2 Coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer LEAD DISCOVERY CENTER GMBH (DE) 2021-09-07 — — US disclosed
US-20200291011-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2020-09-17 — — US 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-11111238-B2 Coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer POLRMT, UQCRC2, UQCRC1 ALDH1A1 1261/4885HPGD 947/4885CA12 4467/4885
US-20200291011-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER POLRMT, UQCRC2, UQCRC1 ALDH1A1 1261/4885HPGD 947/4885CA12 4467/4885

“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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