SCHEMBL7530245

SCHEMBL7530245

CC12CC3(C)CC(CC(=O)O)(C1)CC(CC(=O)O)(C2)C3

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.48
PKM P14618 1/20 0.39
POLB P06746 1/20 0.37
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 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
SCHEMBL12858244 0.98 GRM1 (0.45) GRM1PKMPOLBGABRA5GABRB2
SCHEMBL17586294 0.95 GRM1 (0.47) GRM1PKMPOLBGABRA5GABRB2
SCHEMBL11107723 0.86 GRM1 (0.38) GRM1PKMPOLBGABRA5GABRB2
SCHEMBL2436799 0.84 GRM1 (0.60) GRM1POLBGABRA5GABRB2ALDH1A1
SCHEMBL14571709 0.78 GRM1 (0.50) GRM1POLBGABRA5GABRB2ALDH1A1
SCHEMBL1786642 0.77 MEN1 (0.53) POLBALDH1A1TSHRCYP2C19
SCHEMBL5145929 0.76 PKM (0.50) GRM1PKMALDH1A1RAB9ATSHR
SCHEMBL4982669 0.76 PKM (0.39) PKMALDH1A1RAB9ATSHRHSD17B10
SCHEMBL29772200 0.75 GRM1 (0.52) GRM1POLBGABRA5GABRB2ALDH1A1
SCHEMBL25070961 0.73 CYP2C19 (0.38) GRM1POLBGABRA5GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-6455666-B1 POLYMERIZATION OF ADAMANTANE DICARBOXY AND DIHYDROXY DERIVATIVES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-24 US disclosed
US-20020042496-A1 Novel polyesters and production process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-11 US disclosed
EP-0053621-B1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM BATTELLE MEMORIAL INSTITUTE (CH) 1984-07-25 EP disclosed
EP-0053621-A1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM. BATTELLE MEMORIAL INSTITUTE (CH) 1982-06-16 EP disclosed
US-4332964-A Unsaturated esters of adamantane containing diols and thermo-resistant cross-linked polymers therefrom BATTELLE DEVELOPMENT CORPORATION (US) 1982-06-01 US disclosed
WO-1981003657-A1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM BATTELLE MEMORIAL INSTITUTE (CH) 1981-12-24 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 (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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP GRM1 2470/4885PKM 3506/4885POLB 4264/4885

“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.