SCHEMBL5032934

SCHEMBL5032934

Oc1[c]c(O)c2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.48
NQO2 P16083 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP1A2 P05177 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MPI P34949 1/20 0.41
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX5 P09917 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.38
CYP2A6 P11509 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL29019716 0.80 TRPM4 (0.43) TRPM4NQO2ALDH1A1HSD17B10HIF1A
SCHEMBL29019737 0.80 TRPM4 (0.43) TRPM4NQO2ALDH1A1HSD17B10HIF1A
SCHEMBL11574890 0.80 TRPM4 (0.43) TRPM4NQO2ALDH1A1HSD17B10HIF1A
SCHEMBL7565940 0.78 TRPM4 (0.38) TRPM4NQO2ALDH1A1HSD17B10HIF1A
SCHEMBL9770151 0.76 MEN1 (0.50) TRPM4NQO2ALDH1A1HSD17B10CYP1A2
SCHEMBL7628474 0.76 ERN1 (0.42) TRPM4NQO2ALDH1A1HSD17B10HIF1A
SCHEMBL692620 0.76 MEN1 (0.50) TRPM4NQO2ALDH1A1HSD17B10CYP1A2
SCHEMBL6631799 0.74 CYP2D6 (0.47) TRPM4NQO2ALDH1A1HSD17B10HIF1A
SCHEMBL5411002 0.74 KDM4E (0.43) TRPM4NQO2ALDH1A1HSD17B10CYP1A2
SCHEMBL6630742 0.74 CYP2D6 (0.44) TRPM4NQO2ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113329993-A Use of polyhydroxy aromatic compounds for treating fibrous substrates based on amino acids 迈图高新材料有限责任公司 2021-08-31 CN claimed
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-05-28 US claimed
WO-2003058218-A1 FLUROMETRIC MONITORING AND CONTROL OF SOLUBLE HARDNESS OF WATER USED IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO COMPANY (US) 2003-07-17 WO claimed
CN-113329993-A Use of polyhydroxy aromatic compounds for treating fibrous substrates based on amino acids 迈图高新材料有限责任公司 2021-08-31 CN disclosed
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-05-28 US disclosed
US-20080262127-A1 FLAME RESISTANT RESIN COMPOSITION CHANG CHUN PLASTICS CO., LTD. (TW) 2008-10-23 US disclosed
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed
WO-2003058218-A1 FLUROMETRIC MONITORING AND CONTROL OF SOLUBLE HARDNESS OF WATER USED IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO COMPANY (US) 2003-07-17 WO disclosed
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 EP disclosed
WO-1995020589-A1 CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 1995-08-03 WO disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 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-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES PAH, CUTA, ASPH TRPM4 4752/4885NQO2 729/4885ALDH1A1 867/4885

“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.