SCHEMBL6327530

SCHEMBL6327530

COC(=O)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 4/20 0.54
▸ TRPV1 Q8NER1 1/20 0.50
▸ LTA4H P09960 3/20 0.49
▸ PLA2G2A P14555 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MITF O75030 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ XDH P47989 1/20 0.47
▸ CREBBP Q92793 1/20 0.46
▸ GABRP O00591 2/20 0.46
▸ GABRD O14764 2/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRB1 P18505 2/20 0.46
▸ GABRG2 P18507 2/20 0.46
▸ GABRB3 P28472 2/20 0.46

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
SCHEMBL6031174 0.85 NR4A2 (0.74) NR4A2MEN1MITFLMNAMAPT
SCHEMBL29377618 0.85 NR4A2 (0.74) NR4A2MEN1MITFLMNAMAPT
SCHEMBL2533093 0.84 TRPM8 (0.53) NR4A2TRPV1LTA4HPLA2G2AMEN1
SCHEMBL2537388 0.84 HTR1D (0.50) NR4A2TRPV1LTA4HPLA2G2AMEN1
SCHEMBL6098744 0.83 ALDH1A1 (0.57) LTA4HPLA2G2AMEN1MAPTKMT2A
SCHEMBL6087872 0.81 ALDH1A1 (0.58) NR4A2TRPV1LTA4HPLA2G2AMEN1
SCHEMBL6030723 0.80 KDM4E (0.55) NR4A2KMT2A
SCHEMBL30658176 0.79 NR4A2 (0.71) NR4A2MEN1RAB9AKMT2ANPSR1
SCHEMBL729076 0.79 NR4A2 (0.71) NR4A2MEN1RAB9AKMT2ANPSR1
SCHEMBL6030284 0.78 NR4A2 (0.73) NR4A2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 — — US disclosed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 — — US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 — — EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 — — US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 — — US disclosed
EP-1250334-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-10-23 — — EP disclosed
WO-2001044235-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 — — 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 NR4A2 2418/4885TRPV1 4675/4885LTA4H 3211/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 NR4A2 2139/4885TRPV1 4734/4885LTA4H 3197/4885

“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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