SCHEMBL1665346

SCHEMBL1665346

CCCCCCCCCCC(O)C(O)C(OC(C(=O)O)C(O)C(O)CCCCCCCCCC)C(=O)O.[NaH].[NaH]

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 2/20 0.52
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
FFAR4 Q5NUL3 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ABCB1 P08183 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL1664269 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL21722453 0.79 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28805128 0.77 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL14715568 0.76 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2384900 0.76 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
Carbamic Acid SCHEMBL8429243 0.76 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL29961524 0.75 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL136612 0.74 SPHK1 (0.62) GPR84FFAR1MAPTFFAR4SPHK1
SCHEMBL7756046 0.74 SPHK1 (0.62) GPR84FFAR1MAPTFFAR4SPHK1
SCHEMBL3344513 0.74 SPHK1 (0.62) GPR84FFAR1MAPTFFAR4SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11269488-A None JP disclosed
US-8580235-B2 Hair cosmetic SHISEIDO COMPANY, LTD. (JP) 2013-11-12 US disclosed
EP-2305207-B1 HAIR COSMETIC SHISEIDO CO LTD (JP) 2012-08-29 EP disclosed
US-20110110877-A1 Hair Cosmetic SHISEIDO COMPANY, LTD. (JP) 2011-05-12 US disclosed
EP-2305207-A1 HAIR COSMETIC Shiseido Company, Ltd. (JP) 2011-04-06 EP disclosed
JP-H11269488-A DETERGENT COMPOSITION SHISEIDO CO LTD 1999-10-05 JP 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-20110110877-A1 Hair Cosmetic PCNA, CYP51A1, CYP17A1 GPR84 830/4885FFAR1 666/4885MAPT 1651/4885

“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.