SCHEMBL18161386

SCHEMBL18161386

CC(C)(C)c1ccccc1COc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTR1B P28222 9/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ SLC6A4 P31645 2/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ KCNA3 P22001 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NISCH Q9Y2I1 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL9574720 0.83 HTR1B (0.58) KDM4EMEN1KMT2AHTR1BHTR1D
SCHEMBL9446245 0.81 MEN1 (0.64) KDM4EMEN1KMT2AHTR1BHTR1D
SCHEMBL12894353 0.79 CDK4 (0.44) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL18164436 0.79 CDK4 (0.51) KDM4EMEN1KMT2AHTR1BHTR1D
SCHEMBL12894338 0.79 L3MBTL1 (0.50) KDM4EALDH1A1HPGDNISCHMCL1
SCHEMBL12894356 0.79 L3MBTL1 (0.50) MEN1KMT2AALDH1A1TDP1NISCH
SCHEMBL12894355 0.79 ABCB1 (0.47) ALDH1A1NISCH
SCHEMBL12894342 0.78 MAPT (0.45) KDM4EMEN1KMT2AHTR1BALDH1A1
SCHEMBL12894337 0.78 MCL1 (0.49) KDM4EMEN1KMT2ASLC6A4ALDH1A1
SCHEMBL12894386 0.77 HTR1A (0.50) KDM4EMEN1KMT2ASLC6A4ALDH1A1

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
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 — — US disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 — — US disclosed
US-20160304485-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 2016-10-20 — — 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-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 KDM4E 1423/4885MEN1 494/4885KMT2A 969/4885

“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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