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
SCHEMBL809499 0.65 MAPT (0.38) POLBMAPTRAB9A
SCHEMBL7627668 0.65 FAAH (0.42) NFKB1NFKB2RELA

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.