SCHEMBL5388017

SCHEMBL5388017

Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(C3CCC(c4cc(C)c(O)c(C)c4)(c4cc(C)c(O)c(C)c4)CC3)CC2)cc(C)c1O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.66
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
OPRM1 P35372 1/20 0.34
CYP2C9 P11712 1/20 0.31
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CISD1 Q9NZ45 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9066251 0.93 ACHE (0.68) ACHEESR1ESR2CA1CA2
SCHEMBL6857583 0.86 ACHE (0.63) ACHEESR1ESR2CA1CA2
SCHEMBL675031 0.85 ACHE (0.79) ACHEESR1ESR2CA1CA2
SCHEMBL13518943 0.84 ACHE (0.47) ACHEESR1ESR2LMNAALDH1A1
SCHEMBL17636591 0.83 ACHE (0.59) ACHEESR1ESR2CA1CA2
SCHEMBL28309510 0.83 ACHE (0.59) ACHEESR1ESR2CA1CA2
SCHEMBL9066605 0.82 ACHE (0.54) ACHEESR1ESR2CYP2C9LMNA
SCHEMBL28308729 0.82 ACHE (0.58) ACHEESR1ESR2CA1CA2
SCHEMBL2996266 0.82 ACHE (0.58) ACHEESR1ESR2CA1CA2
SCHEMBL9073417 0.82 ACHE (0.58) ACHEESR1ESR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196232-B2 4,4′-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2007-03-27 US disclosed
US-7196232-B2 4,4′-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2007-03-27 US disclosed
US-7196232-B2 4,4′-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2007-03-27 US disclosed
US-20060129001-A1 Novel 4,4'-dihydroxyphenyl bicyclohexenes HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2006-06-15 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-20060129001-A1 Novel 4,4'-dihydroxyphenyl bicyclohexenes DBF4, DCUN1D4, SDC4 ACHE 4873/4885ESR1 1397/4885ESR2 2548/4885

“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.