SCHEMBL14306992

SCHEMBL14306992

O=Nc1ccc(C(=O)OCCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.43
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
SCN9A Q15858 1/20 0.39
P2RX7 Q99572 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
SCHEMBL14316414 0.86 CKS1B (0.52) HSP90AA1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL14253145 0.79 KMT2A (0.52) HSP90AA1MEN1KMT2AALDH1A1MAPT
SCHEMBL17344400 0.75 TDP1 (0.50) HSP90AA1MEN1KMT2AALDH1A1CYP2D6
SCHEMBL2386670 0.74 PPARG (0.56) HSP90AA1MEN1KMT2AALDH1A1MAPT
SCHEMBL16279523 0.70 CKS1B (0.81) HSP90AA1EGFRCA1CA2CKS1B
Ethylparaben SCHEMBL2430544 0.70 HSP90AA1 (0.55) HSP90AA1MEN1KMT2AALDH1A1CYP2D6
SCHEMBL15371093 0.70 MEN1 (0.57) MEN1KMT2AALDH1A1CYP2D6MAPT
SCHEMBL29757001 0.69 MEN1 (0.60) MEN1KMT2AALDH1A1CYP2D6MAPT
SCHEMBL14883096 0.69 CKS1B (0.54) HSP90AA1MEN1KMT2AALDH1A1MAPT
SCHEMBL1548153 0.68 CA1 (0.63) HSP90AA1MEN1KMT2AALDH1A1MAPT

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-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2008-01-24 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-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, ADGRE5, CALCR HSP90AA1 4184/4885MEN1 1017/4885KMT2A 4704/4885

“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.