SCHEMBL7119947

SCHEMBL7119947

COc1cc(C(=O)C2CCCCC2c2ccc(N(C)C)cc2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
GFER P55789 1/20 0.50
MCL1 Q07820 1/20 0.50
GAA P10253 3/20 0.47
KRAS P01116 1/20 0.46
ALOX15 P16050 2/20 0.45
GLA P06280 1/20 0.45
POLB P06746 2/20 0.44
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL7124632 0.93 ALDH1A1 (0.52) ALDH1A1MAPK1LMNAMAPTGFER
SCHEMBL7118795 0.87 TUBB1 (0.51) ALDH1A1MAPTGAAKRASPOLB
SCHEMBL6009756 0.87 ALDH1A1 (0.53) ALDH1A1MAPK1LMNAMAPTGFER
SCHEMBL7123592 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1LMNAMAPTGFER
SCHEMBL7116344 0.84 TUBB4A (0.44) ALDH1A1MAPK1LMNAMAPTGFER
SCHEMBL7117977 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1LMNAMAPTGFER
SCHEMBL6315473 0.84 TUBB4A (0.43) ALDH1A1MAPK1LMNAMAPTGFER
SCHEMBL6860065 0.82 TUBB1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7118783 0.82 POLB (0.47) ALDH1A1LMNAMAPTPOLBTUBB4A
SCHEMBL6859673 0.81 TUBB1 (0.56) ALDH1A1LMNATUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR ALDH1A1 682/4885MAPK1 1349/4885LMNA 3280/4885

“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.