SCHEMBL11037919

SCHEMBL11037919

COc1ccc2c(c1)cc(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 1.00
▸ AKR1C2 P52895 5/20 1.00
▸ TUBB1 Q9H4B7 1/20 0.67
▸ PTGS2 P35354 7/20 0.57
▸ PTGS1 P23219 5/20 0.57
▸ AR P10275 2/20 0.57
▸ AKR1C4 P17516 2/20 0.57
▸ AKR1C1 Q04828 2/20 0.57
▸ ABCB1 P08183 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ PTGES O14684 1/20 0.57
▸ ABCC3 O15438 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ MT-CO2 P00403 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ALB P02768 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ ALOX5 P09917 1/20 0.57

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
SCHEMBL29481380 1.00 AKR1C3 (1.00) AKR1C3AKR1C2TUBB1PTGS2PTGS1
Acetic Acid SCHEMBL11761270 0.96 AKR1C3 (0.93) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL16746715 0.89 AKR1C3 (0.81) AKR1C3AKR1C2TUBB1PTGS1KDM4E
SCHEMBL29596462 0.89 AKR1C3 (0.80) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL5268342 0.88 AKR1C3 (0.78) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL10788768 0.88 AKR1C3 (0.78) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL11262826 0.88 AKR1C3 (0.78) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL11086794 0.87 AKR1C3 (0.76) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL29941900 0.87 AKR1C3 (0.77) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL15684644 0.87 AKR1C3 (0.77) AKR1C3AKR1C2TUBB1PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047358-B1 INDOL ACETIC DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME A. Nattermann & Cie. GmbH (DE) 1984-09-19 — — EP claimed
JP-58164574-A — — None — — JP disclosed
JP-58164572-A — — None — — JP disclosed
JP-58164571-A — — None — — JP disclosed
JP-58164573-A — — None — — JP disclosed
US-20210198197-A1 METHOD FOR SYNTHESIZING INDOMETHACIN AND ANALOGUE THEREOF HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-07-01 — — US disclosed
WO-2014083476-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC AND LIPID DISORDERS KANDULA MAHESH (IN) 2014-06-05 — — WO disclosed
US-8728493-B2 Polymer based compositions and conjugates of non-steroidal anti-inflammatory drugs NEKTAR THERAPEUTICS (US) 2014-05-20 — — US disclosed
US-8728493-B2 Polymer based compositions and conjugates of non-steroidal anti-inflammatory drugs NEKTAR THERAPEUTICS (US) 2014-05-20 — — US disclosed
US-20070025956-A1 Polymer-based compositions and conjugates of non-steroidal anti-inflammatory drugs NEKTAR THERAPEUTICS AL, CORPORATION (US) 2007-02-01 — — US disclosed
US-20070025956-A1 Polymer-based compositions and conjugates of non-steroidal anti-inflammatory drugs NEKTAR THERAPEUTICS AL, CORPORATION (US) 2007-02-01 — — US disclosed
JP-S58164574-A MANUFACTURE OF 1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-3-INDOLE ACETOXYACETIC ACIDS TROPONWERKE GMBH & CO KG 1983-09-29 — — JP disclosed
JP-S58164571-A MANUFACTURE OF 1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-3-INDOLE ACETOXYACETIC ACIDS TROPONWERKE GMBH & CO KG 1983-09-29 — — JP disclosed
JP-S58164572-A MANUFACTURE OF 1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-3-INDOLE ACETOXYACETIC ACIDS TROPONWERKE GMBH & CO KG 1983-09-29 — — JP disclosed
JP-S58164573-A MANUFACTURE OF 1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-3-INDOLE ACETOXYACETIC ACIDS TROPONWERKE GMBH & CO KG 1983-09-29 — — JP disclosed
US-4003990-A Anti-inflammatory polymers, pharmaceutical compositions containing the same and process for producing said polymers SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-18 — — 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-20070025956-A1 Polymer-based compositions and conjugates of non-steroidal anti-inflammatory drugs HPGDS, PTGES, PTGS1 AKR1C3 1272/4885AKR1C2 1308/4885TUBB1 588/4885
US-20210198197-A1 METHOD FOR SYNTHESIZING INDOMETHACIN AND ANALOGUE THEREOF IDO1, IDO2, PTGIS AKR1C3 214/4885AKR1C2 567/4885TUBB1 4509/4885

“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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