SCHEMBL712622

SCHEMBL712622

CCCCCCCCCCCCO[C@@H](C(=O)O)[C@@H](OCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
GPR84 Q9NQS5 4/20 0.47
NAAA Q02083 1/20 0.47
FFAR1 O14842 1/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CES2 O00748 1/20 0.45
MAPT P10636 1/20 0.45
DNM1 Q05193 1/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
PLA2G4B P0C869 1/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 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
SCHEMBL453154 1.00 HCAR2 (0.48) HCAR2GPR84NAAAFFAR1TSHR
SCHEMBL28253693 1.00 HCAR2 (0.48) HCAR2GPR84NAAAFFAR1TSHR
SCHEMBL27745640 1.00 HCAR2 (0.48) HCAR2GPR84NAAAFFAR1TSHR
SCHEMBL8935618 1.00 HCAR2 (0.48) HCAR2GPR84NAAAFFAR1TSHR
SCHEMBL5718514 1.00 HCAR2 (0.48) HCAR2GPR84NAAAFFAR1TSHR
SCHEMBL7652872 1.00 HCAR2 (0.48) HCAR2GPR84NAAAFFAR1TSHR
SCHEMBL27575401 1.00 HCAR2 (0.48) HCAR2GPR84NAAAFFAR1TSHR
SCHEMBL3960625 0.98 HCAR2 (0.47) HCAR2GPR84NAAAFFAR1TSHR
Phosphoric Acid SCHEMBL28919710 0.92 LPAR3 (0.50) HCAR2
SCHEMBL1196078 0.91 ATM (0.46) HCAR2GPR84FFAR1TSHRTP53

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
US-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-02-08 US disclosed
US-8124578-B2 Use of dynamic mixtures for a controlled release of fragrances FIRMENICH SA (CH) 2012-02-28 US disclosed
EP-1776334-B1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH & CIE (CH) 2009-10-14 EP disclosed
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES UNIVERSITE LOUIS PASTEUR (FR) 2007-06-21 US disclosed
EP-1776334-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH SA (CH) 2007-04-25 EP disclosed
WO-2006016248-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH SA (CH) 2006-02-16 WO 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-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF F12, F5, F3 HCAR2 4740/4885GPR84 1550/4885NAAA 3899/4885
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES TRPA1, HCN1, HCN4 HCAR2 153/4885GPR84 608/4885NAAA 571/4885

“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.