SCHEMBL12445313

SCHEMBL12445313

COC1(c2ccccc2)C=CC(C)(c2ccccc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PAX8 Q06710 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRL1 P41146 3/20 0.31
OPRK1 P41145 2/20 0.31
CA4 P22748 1/20 0.31
OPRD1 P41143 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2350335 0.82 LMNA (0.42) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL15257108 0.80
SCHEMBL3680811 0.73 MMP2 (0.38) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL27446364 0.71 PNMT (0.37) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL16174000 0.70 ESR2 (0.31)
SCHEMBL16174056 0.69 ACHE (0.40) ALDH1A1
SCHEMBL28311778 0.68 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL20240642 0.67 MMP2 (0.39) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL19936870 0.65 ALDH1A1 (0.34) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL8873990 0.65 MMP2 (0.47) MEN1KMT2AALDH1A1LMNAGAA

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-8461403-B2 Carbon nanohoops and methods of making THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-11 US disclosed
US-20110166390-A1 CARBON NANOHOOPS AND METHODS OF MAKING LAWRENCE BERKELEY NATIONAL LABORATORY (US) 2011-07-07 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-20110166390-A1 CARBON NANOHOOPS AND METHODS OF MAKING CYCS, CDC42, NCDN MEN1 1467/4885KMT2A 3516/4885HTT 515/4885

“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.