SCHEMBL4288449

SCHEMBL4288449

CC(C)CC=C1CCC(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ FOS P01100 1/20 0.32
▸ JUN P05412 1/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL356851 0.88 — —
SCHEMBL22152629 0.73 PIK3CD (0.32) PIK3CD
SCHEMBL6330248 0.71 MAPT (0.53) POLBMAPTRAB9ANFKB1NFKB2
Hydrochloric Acid SCHEMBL2150058 0.71 CHRM2 (0.32) FOSJUN
SCHEMBL16192185 0.70 — —
SCHEMBL7666992 0.70 TRPA1 (0.34) —
SCHEMBL7624757 0.69 TRIM24 (0.32) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL4237835 0.67 — —
SCHEMBL812831 0.65 MAPT (0.38) POLBMAPTRAB9A
SCHEMBL1796637 0.65 — —

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 7 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
US-6448220-B1 EXHIBIT INTERESTING FRAGRANCE PROPERTIES OR ODOUR CHARACTERISTICS, GENERALLY ALDEHYDIC IN NATURE, AND SO MAY BE USED IN PERFUME QUEST INTERNATIONAL B.V. (NL) 2002-09-10 — — US disclosed
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 — — US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 — — EP disclosed
EP-1076056-A1 NOVEL SPIRO COMPOUNDS OR SALTS THEREOF AND PREVENTIVES/REMEDIES FOR AUTOIMMUNE DISEASES AND AP-1 INHIBITORS CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2001-02-14 — — EP disclosed
EP-0967195-A1 Aldehydic ketones and their use in perfumes QUEST INTERNATIONAL B.V. (NL) 1999-12-29 — — 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 POLB 3642/4885MAPT 3392/4885RAB9A 1100/4885

“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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