SCHEMBL10001094

SCHEMBL10001094

COc1ccc(-c2cc(=O)c3c(O)c(CO)c(O)cc3o2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.73
▸ CYP1B1 Q16678 6/20 0.68
▸ CYP1A1 P04798 5/20 0.68
▸ CYP1A2 P05177 3/20 0.68
▸ OPRD1 P41143 1/20 0.68
▸ HSD17B2 P37059 1/20 0.64
▸ TAS2R31 P59538 1/20 0.64
▸ FLT3 P36888 2/20 0.60
▸ AURKA O14965 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ AURKB Q96GD4 1/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ TP53 P04637 1/20 0.60
▸ ABCB1 P08183 1/20 0.60
▸ MDM2 Q00987 1/20 0.60
▸ ABCG2 Q9UNQ0 1/20 0.60
▸ PTGES O14684 1/20 0.59
▸ ALOX5 P09917 1/20 0.59
▸ MAPT P10636 4/20 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
SCHEMBL10001087 0.93 CYP1B1 (0.70) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL10001093 0.93 HSD17B2 (0.73) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL10001095 0.90 CYP1B1 (0.67) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL10001099 0.90 HDAC6 (0.72) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL10001096 0.86 FLT3 (0.72) CYP1B1CYP1A1CYP1A2OPRD1FLT3
SCHEMBL10001100 0.85 CYP1B1 (0.69) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL16088300 0.85 HDAC6 (0.78) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
Eupatilin SCHEMBL29568655 0.85 HDAC6 (1.00) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
Eupatilin SCHEMBL1033509 0.85 HDAC6 (1.00) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
Eupatilin SCHEMBL29926197 0.85 HDAC6 (1.00) HDAC6CYP1B1CYP1A1CYP1A2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690841-B2 Glycolysis-activating agents for treatment or prevention of disease QUEEN MARY UNIVERSITY OF LONDON (GB) 2023-07-04 — — US disclosed
US-20170239211-A1 USE OF CHROMONE DERIVATIVE AS PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF FIBROSIS USING EMT INHIBITORY ACTIVITY OSTEONEUROGEN INC. (KR) 2017-08-24 — — US disclosed
US-20170056367-A1 PHARMACEUTICAL COMPOSITIONS FOR INHIBITING THE OSTEOCLAST DIFFERENTIATION COMPRISING EUPATILIN OsteoNeuroGen CO., LTD (KR) 2017-03-02 — — US disclosed
US-9301943-B2 Use of eupatilin UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2016-04-05 — — US disclosed
US-20140288168-A1 NOVEL USE OF EUPATILIN UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2014-09-25 — — US disclosed
US-20120029066-A1 USE OF FLAVONES FOR TREATING PSYCHIATRIC DISORDERS WITH SENSORIMOTOR GATING DEFICITS TAIPEI MEDICAL UNIVERSITY (TW) 2012-02-02 — — 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 (5 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-20140288168-A1 NOVEL USE OF EUPATILIN ERLIN1, ERLIN2, GPR119 HDAC6 2136/4885CYP1B1 2049/4885CYP1A1 3111/4885
US-11690841-B2 Glycolysis-activating agents for treatment or prevention of disease HK2, PDK1, HK1 HDAC6 702/4885CYP1B1 4295/4885CYP1A1 4046/4885
US-20170056367-A1 PHARMACEUTICAL COMPOSITIONS FOR INHIBITING THE OSTEOCLAST DIFFERENTIATION COMPRISING EUPATILIN MYADM, CD14, ALPG HDAC6 3638/4885CYP1B1 3753/4885CYP1A1 4078/4885
US-20170239211-A1 USE OF CHROMONE DERIVATIVE AS PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF FIBROSIS USING EMT INHIBITORY ACTIVITY CDH1, SMAD3, SMAD2 HDAC6 1189/4885CYP1B1 1004/4885CYP1A1 1456/4885
US-20120029066-A1 USE OF FLAVONES FOR TREATING PSYCHIATRIC DISORDERS WITH SENSORIMOTOR GATING DEFICITS HTR2C, GRIN2C, HTR5A HDAC6 4158/4885CYP1B1 1037/4885CYP1A1 416/4885

“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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