SCHEMBL17148956

SCHEMBL17148956

Cc1nn(Cc2ccc(Oc3ccc(F)cc3)cc2)c2nc(-c3ccc(F)cc3)cc(C(=O)O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ DHODH Q02127 2/20 0.47

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
SCHEMBL17148944 0.97 DHODH (0.53) KDM4EALDH1A1HPGDDHODH
SCHEMBL17147407 0.97 KDM4E (0.46) KDM4EALDH1A1HPGDDHODH
SCHEMBL17148958 0.90 KDM4E (0.51) KDM4EALDH1A1HPGD
SCHEMBL17148959 0.90 ALDH1A1 (0.59) KDM4EALDH1A1HPGD
SCHEMBL17147411 0.89 KDM4E (0.52) KDM4EALDH1A1HPGD
SCHEMBL17148945 0.89 RXFP1 (0.49) KDM4EALDH1A1HPGD
SCHEMBL17148957 0.88 RXFP1 (0.59) KDM4EALDH1A1HPGD
SCHEMBL17147434 0.88 KDM4E (0.49) KDM4EALDH1A1HPGD
SCHEMBL17147413 0.87 ALDH1A1 (0.56) KDM4EALDH1A1HPGD
SCHEMBL17147418 0.86 KDM4E (0.56) KDM4EALDH1A1HPGD

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
EP-3125884-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2019-11-06 — — EP disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 — — 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 (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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 KDM4E 1138/4885ALDH1A1 1518/4885HPGD 3099/4885

“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