SCHEMBL2280554

SCHEMBL2280554

CCC(Oc1cc(C)cc(C)c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
PPARA Q07869 13/20 0.44
PPARG P37231 13/20 0.44
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL14157674 0.86 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGPLGPLAU
SCHEMBL8935652 0.84 SMN1; SMN2 (0.64) SMN1; SMN2PPARAPPARGNPSR1ALOX5
SCHEMBL826322 0.84 SMN1; SMN2 (0.64) SMN1; SMN2PPARAPPARGNPSR1ALOX5
SCHEMBL420670 0.84 SMN1; SMN2 (0.63) SMN1; SMN2PPARAPPARG
SCHEMBL10638079 0.84 SMN1; SMN2 (0.46) SMN1; SMN2PPARAPPARGNPSR1HTT
SCHEMBL11359371 0.84 SMN1; SMN2 (0.73) SMN1; SMN2PPARAPPARGNPSR1PTGES
SCHEMBL27602676 0.84 AR (0.51) SMN1; SMN2NPSR1HTT
SCHEMBL11753889 0.82 SMN1; SMN2 (0.57) SMN1; SMN2PPARAPPARG
SCHEMBL8527020 0.81 SMN1; SMN2 (0.60) SMN1; SMN2PPARAPPARGNPSR1PTGES
SCHEMBL8935859 0.81 SMN1; SMN2 (0.70) SMN1; SMN2PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146176-B GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-11-15 CN disclosed
CN-118146176-A GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-06-07 CN disclosed
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
EP-2094311-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2009-09-02 EP disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US disclosed
WO-2008070291-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2008-06-12 WO disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
CN-1582166-A Vitronectin receptor antagonist pharmaceuticals for use in combination therapy BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-02-16 CN disclosed
US-4116677-A N-alkyl-alpha-(substituted phenoxy) alkylamides and their use as herbicides STAUFFER CHEMICAL COMPANY (US) 1978-09-26 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 (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-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS LDLR, HDLBP, FABP1 SMN1; SMN2 4043/4885PPARA 970/4885PPARG 1620/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885PPARA 490/4885PPARG 312/4885

“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.