SCHEMBL6869938

SCHEMBL6869938

CCCCC(O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CETP P11597 3/20 0.48
CNR2 P34972 1/20 0.48
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
CTSK P43235 2/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL30759387 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL16648567 0.95 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL16648564 0.95 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL2677628 0.94 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL7305728 0.94 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL7305733 0.94 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL3736932 0.94 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL21245794 0.94 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL27424922 0.94 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4
SCHEMBL16648466 0.94 CETP (0.52) ALDH1A1MAPK1TDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137515-A Hydroxy triazine compound and medical use thereof 日本烟草产业株式会社 2018-06-08 CN disclosed
CN-102470181-B e-polylysine conjugates and use thereof MERCK PATENT GMBH 2014-12-03 CN disclosed
CN-102470181-A Polylysine conjugates and uses thereof MERCK PATENT GMBH 2012-05-23 CN disclosed
EP-1105399-B1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH SA (CH) 2004-04-14 EP disclosed
US-6706280-B2 DRUG TARGETING WITH LIPOSOMES AND MAGNETIC RESONANCE IMAGING CONTRAST MEDIA FOR DIAGNOSTICS BRACCO RESEARCH S.A. (CH) 2004-03-16 US disclosed
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-20020136760-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2002-09-26 US disclosed
EP-1105399-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2001-06-13 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-2000011007-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2000-03-02 WO disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed
US-5830936-A THERMAL STABILIZERS FOR POLYOLEFINS AND ENGINEERING PLASTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-03 US disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 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-20020136760-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS PHOSPHO1, PLD1, SGMS1 ALDH1A1 1522/4885MAPK1 2643/4885TDP1 3199/4885

“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.