SCHEMBL17147490

SCHEMBL17147490

CCOC(=O)c1cc(/C=C/c2ccccc2)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL17147441 0.91 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL17147449 0.88 TSHR (0.47) TSHRKDM4EALDH1A1POLBHPGD
SCHEMBL17147403 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL17147447 0.85 TSHR (0.46) TSHRKDM4EALDH1A1POLBHPGD
SCHEMBL17147473 0.83 TSHR (0.46) TSHRKDM4EALDH1A1POLBMAPT
SCHEMBL17147468 0.81 TDP1 (0.53) KDM4EALDH1A1POLBHPGDMAPT
SCHEMBL17147445 0.81 TSHR (0.42) TSHRKDM4EALDH1A1POLBHPGD
SCHEMBL17149311 0.80 RXFP1 (0.55) KDM4EALDH1A1POLBHPGDMAPT
SCHEMBL17147508 0.80 TDP1 (0.46) ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL17147424 0.78 POLB (0.43) POLB

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 5 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-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
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 TSHR 4647/4885KDM4E 1138/4885ALDH1A1 1518/4885

“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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