SCHEMBL5394458

SCHEMBL5394458

COc1ccc(C2=C(c3ccc(OC)cc3)CC3C(=O)CCC3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
SLC6A3 Q01959 1/20 0.42
PTGS1 P23219 3/20 0.40
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
BACE1 P56817 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL5389861 0.79 CFTR (0.39) ALDH1A1KMT2ASLC6A3LMNA
SCHEMBL5385168 0.74 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL5378428 0.70 MT-CO2 (0.43) ALDH1A1KMT2AHPGDMAPT
SCHEMBL5403263 0.68 NPC1 (0.40) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL5390407 0.68 NPC1 (0.40) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL5403268 0.68 NPC1 (0.40) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL14491090 0.68 NPC1 (0.40) ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL6635160 0.65 CHRNB2 (0.61) ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6637187 0.65 CHRNB2 (0.61) ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL10986055 0.65 NPC1 (0.33) ALDH1A1KMT2AMEN1KDM4ENPC1

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 3 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
US-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 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 (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 2212/4885KMT2A 2872/4885SMN1; SMN2 4610/4885
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ESR2, GPER1, ESR1 ALDH1A1 2212/4885KMT2A 2872/4885SMN1; SMN2 4610/4885

“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.