SCHEMBL1395995

SCHEMBL1395995

COc1ccc2cc(C(C)C(=O)OCCCCO)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
AKR1C3 P42330 3/20 0.59
AKR1C2 P52895 3/20 0.59
PTGS1 P23219 2/20 0.59
TSHR P16473 2/20 0.59
CDC42 P60953 1/20 0.59
RAC1 P63000 1/20 0.59
CYP1A2 P05177 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
ABCB11 O95342 1/20 0.54

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
SCHEMBL1395993 1.00 PTGS2 (0.63) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL3106087 0.99 PTGS2 (0.62) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL3106092 0.99 PTGS2 (0.62) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL8186943 0.96 PTGS2 (0.65) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL13592731 0.95 TDP1 (0.69) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL16193388 0.91 PTGS2 (0.65) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL12744212 0.91 PTGS2 (0.65) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL9593126 0.91 TDP1 (0.68) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL8197796 0.91 TDP1 (0.68) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL13089018 0.90 PTGS2 (0.63) PTGS2TDP1L3MBTL1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783504-B1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINONE DERIVATIVES, THEIR PREPARATION AND USE AS ANTAGONISTS OF AMPA-RECEPTORS NOVO NORDISK AS (DK) 2000-03-15 EP claimed
WO-2023142996-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR DISORDER ASSOCIATED WITH ANTINEOPLASTIC AGENT 上海岸阔医药科技有限公司 2023-08-03 WO disclosed
WO-2013130625-A1 PHOSPHO-ESTER DERIVATIVES AND USES THEREOF RIGAS BASIL (US) 2013-09-06 WO disclosed
US-8329937-B2 Method for purifying 4-(nitrooxy)butyl(2S)-2-(6-methoxy-2-naphthyl) propanoate NICOX S.A. (FR) 2012-12-11 US disclosed
US-8329937-B2 Method for purifying 4-(nitrooxy)butyl(2S)-2-(6-methoxy-2-naphthyl) propanoate NICOX S.A. (FR) 2012-12-11 US disclosed
WO-2012152438-A1 PROCESS FOR THE PREPARATION OF NITRATE ACID ESTER OF ORGANIC COMPOUNDS NICOX S.A. (FR) 2012-11-15 WO disclosed
EP-2288590-A2 METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL)PROPANOATE Nicox S.A. (FR) 2011-03-02 EP disclosed
US-20100256411-A1 METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL) PROPANOATE NICOX S.A. (FR) 2010-10-07 US disclosed
US-20100256411-A1 METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL) PROPANOATE NICOX S.A. (FR) 2010-10-07 US disclosed
WO-2009153668-A2 METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL)PROPANOATE NICOX S.A. (FR) 2009-12-23 WO disclosed
WO-2009149053-A2 NAPROXCINOD PROCESS AND SOLID DISPERSION DR. REDDY'S LABORATORIES LTD. (IN) 2009-12-10 WO disclosed
WO-2000023419-A1 NOVEL PRODRUGS OF NON-STEROIDAL ANTI-INFLAMMATORY CARBOXYLIC ACIDS, THEIR PREPARATION AND USE JAERVINEN TOMI (FI) 2000-04-27 WO disclosed
EP-0783504-B1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINONE DERIVATIVES, THEIR PREPARATION AND USE AS ANTAGONISTS OF AMPA-RECEPTORS NOVO NORDISK AS (DK) 2000-03-15 EP 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-20100256411-A1 METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL) PROPANOATE NAPEPLD, PNPO, NRDC PTGS2 60/4885TDP1 1591/4885L3MBTL1 4869/4885

“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.