SCHEMBL5358992

SCHEMBL5358992

COc1cc(C)cc(OC)c1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.45
▸ ACHE P22303 2/20 0.45
▸ CNR2 P34972 6/20 0.43
▸ CNR1 P21554 5/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ KDM4B O94953 1/20 0.39
▸ CHRM1 P11229 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
SCHEMBL17087121 0.90 ACHE (0.50) ABCB1ACHEMEN1KMT2ATDP1
SCHEMBL19943971 0.84 ABCB1 (0.45) ABCB1CNR2CNR1MEN1KMT2A
SCHEMBL16011697 0.82 ABCB1 (0.44) ABCB1CNR2CNR1MEN1KMT2A
SCHEMBL28550317 0.79 ABCB1 (0.42) ABCB1CNR2CNR1MEN1KMT2A
SCHEMBL28552882 0.79 ABCB1 (0.42) ABCB1CNR2CNR1MEN1KMT2A
SCHEMBL26684590 0.78 CNR2 (0.46) ABCB1CNR2CNR1MEN1KMT2A
SCHEMBL26874208 0.78 PTGDR2 (0.35) ABCB1ACHECNR2CNR1NPC1
SCHEMBL26684938 0.78 CNR2 (0.43) ABCB1CNR2CNR1MEN1KMT2A
SCHEMBL16018026 0.78 CNR2 (0.40) ABCB1CNR2CNR1MEN1KMT2A
SCHEMBL19072578 0.78 ABCB1 (0.68) ABCB1MEN1KMT2ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285687-B2 Cannabinoids VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-10-23 — — US disclosed
US-7285687-B2 Cannabinoids VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-10-23 — — US disclosed
US-7285687-B2 Cannabinoids VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-10-23 — — US disclosed
US-7179800-B2 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-20 — — US disclosed
US-7179800-B2 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-20 — — US disclosed
US-7179800-B2 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2007-02-20 — — US disclosed
US-20050165259-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-07-28 — — US disclosed
US-20050159449-A1 Cannabinoids VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-07-21 — — 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-20050165259-A1 Such as 2-(3-methylcyclohexyl)-5-(1,1'-dimethylheptyl)-resorcinol for treatment of pain, inflammation and autoimmune disease CNR1, CNR2, HRH4 ABCB1 1409/4885ACHE 535/4885CNR2 2/4885
US-20050159449-A1 Cannabinoids CNR1, CNR2, OPRL1 ABCB1 1542/4885ACHE 450/4885CNR2 2/4885

“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.

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