SCHEMBL5780751

SCHEMBL5780751

O=[C]c1c(O)cccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 4/20 0.45
ALOX15 P16050 4/20 0.45
HSD17B10 Q99714 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CA1 P00915 3/20 0.45
RECQL P46063 3/20 0.45
EGFR P00533 2/20 0.45
FYN P06241 2/20 0.45
MMP9 P14780 2/20 0.45
MMP2 P08253 2/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP8 P22894 1/20 0.45
CA6 P23280 1/20 0.45
CDK2 P24941 1/20 0.45
MMP12 P39900 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
MAPT P10636 4/20 0.42

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
SCHEMBL335267 0.85 CA2 (0.38) CA2LMNAHPGDALOX15HSD17B10
SCHEMBL571847 0.83 TRPA1 (0.50) CA2LMNAHPGDALOX15HSD17B10
SCHEMBL7156428 0.83 CES2 (0.39) CA2LMNAHPGDALOX15HSD17B10
SCHEMBL9203019 0.79 ALDH1A1 (0.56) CA2LMNAHPGDALOX15HSD17B10
SCHEMBL4850001 0.74 CA2 (0.33) CA2LMNAHPGDALOX15HSD17B10
SCHEMBL18429861 0.71 ALDH1A1 (0.45) CA2LMNAHPGDALOX15HSD17B10
SCHEMBL2285228 0.71 ALDH1A1 (0.50) CA2LMNAHPGDALOX15HSD17B10
SCHEMBL7158339 0.71 CYP3A4 (0.40) CA2HPGDTDP1ALDH1A1CA1
SCHEMBL874656 0.70 ALDH1A1 (0.52) CA2LMNAHPGDALOX15HSD17B10
SCHEMBL3244528 0.69 PTPN22 (0.54) HPGDHSD17B10TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107690436-B Method for forming complexes, complexes and use thereof 庄信万丰股份有限公司 2023-12-22 CN disclosed
CN-108367179-A TOPICAL DELIVERY SYSTEM FOR ACTIVE INGREDIENTS 莱雅公司 2018-08-03 CN disclosed
CN-107072898-A Composition in the form of a nanoemulsion or microemulsion or with a layered structure 莱雅公司 2017-08-18 CN disclosed
EP-1329451-B1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES (JP) 2006-08-23 EP disclosed
US-6919349-B2 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES, INC. (JP) 2005-07-19 US disclosed
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES INC. (JP) 2004-05-06 US disclosed
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1329451-A1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-23 EP disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP disclosed
US-5726257-A Esterified resorcinol-carbonyl compound condensates and epoxy resins therewith SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-03-10 US disclosed
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 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 (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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM CA2 4521/4885LMNA 3577/4885HPGD 834/4885
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient VCAM1, ICAM1, SELL CA2 3690/4885LMNA 2237/4885HPGD 484/4885

“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.