SCHEMBL3270164

SCHEMBL3270164

CCC(C)(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.55
PPARG P37231 2/20 0.55
PPARD Q03181 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
MMP8 P22894 3/20 0.49
RIPK1 Q13546 3/20 0.47
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 3/20 0.45
RECQL P46063 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL27908890 0.90 SMN1; SMN2 (0.57) PPARAPPARGPPARDSMN1; SMN2HIF1A
SCHEMBL19183326 0.89 PPARA (0.46) PPARAPPARGPPARDSMN1; SMN2HIF1A
SCHEMBL28755706 0.88 PPARA (0.49) PPARAPPARGPPARDSMN1; SMN2HIF1A
SCHEMBL12268231 0.86 RIPK1 (0.46) PPARAPPARGPPARDSMN1; SMN2HIF1A
SCHEMBL3159710 0.85 SMN1; SMN2 (0.48) PPARAPPARGPPARDSMN1; SMN2HIF1A
SCHEMBL27490673 0.85 BLM (0.61) PPARAPPARGPPARD
SCHEMBL11529482 0.85 PPARA (0.49) PPARAPPARGPPARDSMN1; SMN2MMP8
SCHEMBL29290738 0.85 SMN1; SMN2 (0.48) PPARAPPARGPPARDSMN1; SMN2HIF1A
SCHEMBL3270827 0.83 MMP8 (0.53) PPARAPPARGPPARDSMN1; SMN2HIF1A
SCHEMBL11527067 0.83 PPARA (0.54) PPARAPPARGPPARDSLC6A2CYP3A4

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630989-B2 Dipeptide analogs for treating conditions associated with amyloid fibril formation RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-04-25 US disclosed
US-9096645-B2 Dipeptide analogs for treating conditions associated with amyloid fibril formation RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2015-08-04 US disclosed
US-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
CN-103561732-A Therapeutic compounds ARKCIRIA PHARMACEUTICALS CO LTD 2014-02-05 CN disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
EP-2046929-A1 LIQUID SUPPORT Henkel AG & Co. KGaA (DE) 2009-04-15 EP disclosed
EP-2038391-A1 WASHING, CLEANING AND CARE PRODUCTS Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2008116509-A1 CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2008-10-02 WO disclosed
WO-1999009136-A1 HIGH-DOSE FRAGRANCED SHAPED BODIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-25 WO disclosed
EP-0542348-B1 Process for the preparation of phenylaldehydes QUEST INT (NL) 1997-06-18 EP disclosed
US-5358861-A Oxidation of an unsaturated phenolic compound in the presence of the enzyme lipoxygenase; vanillin UNILEVER PATENT HOLDINGS B.V. (NL) 1994-10-25 US disclosed
EP-0406572-A1 Cyclic compounds and their process of preparation L. GIVAUDAN & CIE Société Anonyme (CH) 1991-01-09 EP disclosed
EP-0330995-A2 Bicyclic ethers GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1989-09-06 EP disclosed
EP-0315895-A1 Tricyclic compounds L. GIVAUDAN & CIE Société Anonyme (CH) 1989-05-17 EP disclosed
EP-0301375-A2 Bicyclic aldehydes L. GIVAUDAN & CIE Société Anonyme (CH) 1989-02-01 EP disclosed
EP-0294746-A1 Bicyclic nitro compounds L. GIVAUDAN & CIE Société Anonyme (CH) 1988-12-14 EP disclosed
EP-0195975-A2 Bicyclic ketone, process for its preparation and odoriferous and/or aromatization compositions containing this bicyclic ketone L. GIVAUDAN & CIE Société Anonyme (CH) 1986-10-01 EP disclosed
US-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 US 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-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 PPARA 153/4885PPARG 17/4885PPARD 52/4885

“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.