SCHEMBL7103882

SCHEMBL7103882

CCC[C@H]1CC[C@H](c2c(O)ccc3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 3/20 0.45
HIF1A Q16665 2/20 0.45
THRB P10828 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 2/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 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
SCHEMBL29587266 0.79 CYP2C9 (0.46) MAPTALDH1A1LMNAHIF1ACYP1A2
SCHEMBL6399247 0.79 KDM4E (0.47) MAPTKDM4EALDH1A1NPSR1LMNA
SCHEMBL6396905 0.78 ALDH1A1 (0.53) MAPTKDM4EALDH1A1NPSR1LMNA
SCHEMBL6406321 0.77 ALDH1A1 (0.55) MAPTKDM4EALDH1A1NPSR1LMNA
SCHEMBL23216669 0.74 KDM4E (0.48) MAPTKDM4EALDH1A1NPSR1LMNA
SCHEMBL29768426 0.74 KDM4E (0.48) MAPTKDM4EALDH1A1NPSR1LMNA
SCHEMBL29587262 0.74 CYP2C9 (0.41) MAPTALDH1A1LMNAHIF1ACYP1A2
SCHEMBL6401067 0.73 KDM4E (0.45) MAPTKDM4EALDH1A1NPSR1LMNA
SCHEMBL1119886 0.72 CYP2C9 (0.45) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL1680067 0.72 CYP2C9 (0.45) MAPTKDM4EALDH1A1LMNAMEN1

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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 MAPT 956/4885KDM4E 3091/4885ALDH1A1 3248/4885

“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.