SCHEMBL8737611

SCHEMBL8737611

CC(C)(C)c1ccc(C(C)(C)C)c2c1CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL31303985 0.73 GLRA3 (0.43) KDM4EALDH1A1GAACA2TDP1
SCHEMBL12245662 0.72 ALDH1A1 (0.40) KDM4EALDH1A1HPGDGAACA2
SCHEMBL11954931 0.72 CA2 (0.39) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL9277537 0.69 KDM4E (0.37) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14336787 0.69 CYP1A2 (0.35) ALDH1A1CA2TSHRTDP1
SCHEMBL14336995 0.67
SCHEMBL16556090 0.67 KDM4E (0.34) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL9277458 0.67 KDM4E (0.34) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11955172 0.66 MAOA (0.44) ALDH1A1CA2TSHRTDP1
SCHEMBL15746201 0.66

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-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 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-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KDM4E 2715/4885ALDH1A1 3689/4885HPGD 2033/4885

“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.