SCHEMBL20839142

SCHEMBL20839142

CC(O)C(=O)N1CCCC(C(=O)O)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GRM3 Q14832 1/20 0.44
MAPK1 P28482 2/20 0.43
ACE P12821 3/20 0.42
XPNPEP2 O43895 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
REN P00797 1/20 0.39
CREBBP Q92793 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 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
SCHEMBL20839141 1.00 ALDH1A1 (0.45) ALDH1A1GRM3MAPK1ACEXPNPEP2
SCHEMBL12430299 0.88 ALDH1A1 (0.46) ALDH1A1GRM3MAPK1ACEXPNPEP2
SCHEMBL22991239 0.85 ALDH1A1 (0.44) ALDH1A1GRM3MAPK1ACEXPNPEP2
SCHEMBL3397046 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1KDM4EKMT2AHSD17B10
SCHEMBL21431189 0.84 DPP4 (0.48) ALDH1A1GRM3MAPK1ACEXPNPEP2
SCHEMBL3718155 0.81 SMN1; SMN2 (0.46) ALDH1A1MAPK1ACEXPNPEP2SMN1; SMN2
SCHEMBL22431751 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL28434432 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL28434429 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL6831699 0.78 ALDH1A1 (0.51) ALDH1A1GRM3MAPK1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684762-B1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 EP disclosed
EP-3941906-B1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 EP disclosed
EP-3941906-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER Lead Discovery Center GmbH (DE) 2022-01-26 EP 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
WO-2020188049-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2020-09-24 WO 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
EP-3684762-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER Lead Discovery Center GmbH (DE) 2020-07-29 EP disclosed
WO-2019057821-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2019-03-28 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-11111238-B2 Coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer POLRMT, UQCRC2, UQCRC1 ALDH1A1 1261/4885GRM3 4660/4885MAPK1 3532/4885
US-20200291011-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER POLRMT, UQCRC2, UQCRC1 ALDH1A1 1261/4885GRM3 4660/4885MAPK1 3532/4885

“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.