SCHEMBL6449288

SCHEMBL6449288

CCC(O)C=Cc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CA1 P00915 1/20 0.44
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
NFE2L2 Q16236 2/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 3/20 0.40
RELA Q04206 1/20 0.39
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
GAPDH P04406 1/20 0.38
MAOB P27338 1/20 0.37
FBP1 P09467 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6449282 1.00 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19CA1KMT2A
SCHEMBL866662 0.82 MEN1 (0.49) CYP3A4KMT2ARELAMAOBMEN1
SCHEMBL2522305 0.82 MEN1 (0.49) CYP3A4KMT2ARELAMAOBMEN1
SCHEMBL866661 0.82 MEN1 (0.49) CYP3A4KMT2ARELAMAOBMEN1
SCHEMBL11959996 0.82 MEN1 (0.49) CYP3A4KMT2ARELAMAOBMEN1
SCHEMBL11960056 0.82 MEN1 (0.49) CYP3A4KMT2ARELAMAOBMEN1
SCHEMBL16865352 0.78 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19CA1KMT2A
SCHEMBL16865348 0.78 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19CA1KMT2A
SCHEMBL12241652 0.77 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19CA1KMT2A
SCHEMBL28847935 0.77 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19CA1KMT2A

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-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 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-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases HSD17B10, IDH2, INSR CYP3A4 187/4885CYP2C9 466/4885CYP2C19 526/4885

“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.