SCHEMBL5385168

SCHEMBL5385168

COc1ccc(C2=C(c3ccc(OC)cc3)CC3C(=O)OC(=O)C3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
PTGS1 P23219 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CYP19A1 P11511 1/20 0.42
EGFR P00533 1/20 0.42
MAPK1 P28482 1/20 0.42
BACE1 P56817 1/20 0.42
PTGS2 P35354 2/20 0.41
SLC6A3 Q01959 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40

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
SCHEMBL5394458 0.74 ALDH1A1 (0.44) ALDH1A1PTGS1MEN1KMT2ALMNA
SCHEMBL24194728 0.69 FNTA (0.34) LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL5380495 0.68 ESR2 (0.44) ALDH1A1PTGS1SMN1; SMN2KDM4EHPGD
SCHEMBL12489271 0.67 MAOA (0.46) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL12686766 0.67 MAOA (0.46) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL31349179 0.67 PTGS1 (0.85) ALDH1A1PTGS1MEN1KMT2ALMNA
SCHEMBL30320677 0.66 ME2 (0.57) ALDH1A1PTGS1MEN1KMT2ALMNA
SCHEMBL9324256 0.66 EGFR (0.42) ALDH1A1PTGS1MEN1KMT2ALMNA
SCHEMBL11263779 0.66 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL11773237 0.66 CFTR (0.38) ALDH1A1PTGS1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US disclosed
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US disclosed
EP-1633692-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
US-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 US disclosed
WO-2005000775-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 WO 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-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators ESR2, GPER1, ESR1 ALDH1A1 2212/4885PTGS1 547/4885MEN1 4688/4885
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ESR2, GPER1, ESR1 ALDH1A1 2212/4885PTGS1 547/4885MEN1 4688/4885

“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.