SCHEMBL4278592

SCHEMBL4278592

CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(CCC(=O)NS(C)(=O)=O)c2)c(OCC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOS P01100 2/20 0.59
▸ JUN P05412 2/20 0.59
▸ SCN9A Q15858 7/20 0.40
▸ SCN5A Q14524 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ THRB P10828 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ AR P10275 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35

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
SCHEMBL4284195 0.85 FOS (0.64) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4276620 0.84 JUN (0.81) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4278045 0.83 JUN (0.64) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4276443 0.81 FOS (0.62) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4282700 0.78 JUN (0.81) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4291381 0.78 FOS (0.55) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4277010 0.78 JUN (0.61) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4279716 0.78 FOS (0.63) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4279563 0.78 JUN (0.76) FOSJUNALDH1A1HIF1AMAPT
SCHEMBL4288990 0.76 JUN (0.73) FOSJUNALDH1A1HIF1AMAPT

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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 — — US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 — — US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 — — EP 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 FOS 63/4885JUN 20/4885SCN9A 954/4885

“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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