SCHEMBL5882791

SCHEMBL5882791

C=C(C)Cc1cc(CC)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.53
▸ BACE1 P56817 1/20 0.47
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ HSD17B1 P14061 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL239755 0.87 ESR1 (0.48) TRPA1BACE1GABRA1GABRB2POLB
SCHEMBL28390526 0.86 CNR1 (0.55) BACE1GABRA1GABRB2KDM4EALOX15
SCHEMBL19289794 0.80 TRPA1 (0.38) TRPA1BACE1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1021944 0.80 BACE1 (0.68) TRPA1BACE1GABRA1GABRB2HSD17B1
SCHEMBL1257364 0.79 GABRA1 (0.52) BACE1GABRA1GABRB2HSD17B1POLB
SCHEMBL9446145 0.79 EGFR (0.44) ALDH1A1ALOX15ALOX12HTTHSD17B10
SCHEMBL28865363 0.79 TRPA1 (0.59) TRPA1BACE1GABRA1GABRB2HSD17B1
SCHEMBL7512509 0.78 EGFR (0.48) BACE1ALDH1A1SMN1; SMN2PKMGAA
SCHEMBL51319 0.78 TRPA1 (0.64) TRPA1BACE1GABRA1GABRB2HSD17B1
SCHEMBL30523630 0.77 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2HSP90AB1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 — — EP disclosed
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 — — EP disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 — — US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 — — US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 — — US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 — — US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 — — US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 — — US disclosed
EP-2582674-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF Metabolex Inc. (US) 2013-04-24 — — EP disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 — — US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 — — EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 — — US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 — — US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 — — US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 — — US disclosed
CN-1334798-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2002-02-06 — — CN disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 — — US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 — — US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — 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 (4 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS TRPA1 1919/4885BACE1 2187/4885GABRA1 1695/4885
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR TRPA1 1214/4885BACE1 3533/4885GABRA1 252/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS TRPA1 1919/4885BACE1 2187/4885GABRA1 1695/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS TRPA1 1919/4885BACE1 2187/4885GABRA1 1695/4885

“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.

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