SCHEMBL17147385

SCHEMBL17147385

Cc1ccc(Oc2ccc(CC(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ESR1 P03372 1/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK14 Q16539 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 0.39
MMP13 P45452 2/20 0.39
RIPK1 Q13546 1/20 0.39
HTT P42858 1/20 0.39
AGXT P21549 2/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL3480017 0.91 ESR1 (0.56) TEAD4ALDH1A1MAPTPOLBTDP1
SCHEMBL394340 0.87 ESR1 (0.61) MAPTTDP1ESR1SMN1; SMN2NPC1
SCHEMBL18686307 0.83 ESR1 (0.48) ALDH1A1MAPTESR1KMT2ASMN1; SMN2
SCHEMBL22386734 0.83 LTA4H (0.50) ALDH1A1TDP1ESR1MEN1KMT2A
SCHEMBL10603646 0.83 ALDH1A1 (0.59) TEAD4ALDH1A1MAPTPOLBTDP1
SCHEMBL2600040 0.83 RIPK1 (0.56) ESR1RIPK1
SCHEMBL14094667 0.82 ALDH1A1 (0.49) TEAD4ALDH1A1MAPTPOLBTDP1
SCHEMBL11732966 0.82 MAPT (0.52) ALDH1A1MAPTESR1MEN1KMT2A
SCHEMBL12012736 0.82 ESR1 (0.47) ESR1HPGDRIPK1EPHX2
SCHEMBL17721692 0.82 TEAD4 (0.52) TEAD4ALDH1A1MAPTPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TEAD4 3109/4885ALDH1A1 1518/4885MAPT 2998/4885

“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.