SCHEMBL6124180

SCHEMBL6124180

CC1C(C)C12CCOc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.33
LDHA P00338 1/20 0.33
MAP3K14 Q99558 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21286723 0.81 KMT2A (0.38) SMN1; SMN2KMT2ALDHAGAA
SCHEMBL21915155 0.81 KMT2A (0.38) SMN1; SMN2KMT2ALDHAGAA
SCHEMBL21625367 0.81 KMT2A (0.38) SMN1; SMN2KMT2ALDHAGAA
SCHEMBL24250654 0.81 KMT2A (0.38) SMN1; SMN2KMT2ALDHAGAA
SCHEMBL20997406 0.81 KMT2A (0.38) SMN1; SMN2KMT2ALDHAGAA
SCHEMBL6124181 0.81 ABCG2 (0.34) ITGB2ICAM1ITGALSIGMAR1
SCHEMBL20997082 0.78 KMT2A (0.39) SMN1; SMN2KMT2AGAA
SCHEMBL21286816 0.78 KMT2A (0.39) SMN1; SMN2KMT2AGAA
SCHEMBL21625351 0.78 KMT2A (0.39) SMN1; SMN2KMT2AGAA
SCHEMBL21915010 0.78 KMT2A (0.39) SMN1; SMN2KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 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 (2 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ITGB2 2250/4885ICAM1 3308/4885ITGAL 2081/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ITGB2 3949/4885ICAM1 3782/4885ITGAL 3646/4885

“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.