SCHEMBL6286470

SCHEMBL6286470

CCOC(O)c1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
ACHE P22303 6/20 0.46
PTGS2 P35354 6/20 0.46
BCHE P06276 5/20 0.46
ALDH1A1 P00352 7/20 0.41
ALDH1A3 P47895 2/20 0.41
ALDH3A1 P30838 1/20 0.41
CYP2A6 P11509 2/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIA4 P48058 1/20 0.36

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
SCHEMBL15581118 0.84 ACHE (0.40) ACHEPTGS2BCHELMNAMAPT
SCHEMBL895976 0.81 PTGS2 (0.62) TYRACHEPTGS2BCHEALDH1A1
SCHEMBL9879225 0.80 PTGS2 (0.56) TYRACHEPTGS2BCHEALDH1A1
SCHEMBL9944620 0.79 TYR (0.55) TYRACHEPTGS2BCHEALDH1A1
SCHEMBL881438 0.79 TYR (0.54) TYRALDH1A1ALDH1A3ALDH3A1CYP2A6
Ethylene SCHEMBL8585970 0.78 TYR (0.46) TYRACHEPTGS2BCHEALDH1A1
SCHEMBL2047680 0.76 PTGS2 (0.53) TYRACHEPTGS2BCHEALDH1A1
SCHEMBL24120490 0.76 ESR1 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19309188 0.76 EPHX1 (0.45) TYRACHEPTGS2BCHELMNA
SCHEMBL1124335 0.75 TYR (0.46) TYRACHEPTGS2BCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56156229-A None JP disclosed
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 EP disclosed
US-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2018-04-26 US disclosed
EP-3294715-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-03-21 EP disclosed
EP-2794620-B1 BODIPY STRUCTURE FLUORESCENCE PROBES FOR DIVERSE BIOLOGICAL APPLICATIONS NAT UNIV SINGAPORE (SG) 2017-11-15 EP disclosed
WO-2016180472-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2016-11-17 WO disclosed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 WO disclosed
US-RE38761-E1 Styryl compounds which inhibit EGF receptor protein tyrosine kinase YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-07-19 US disclosed
US-5217999-A Antigrowth agents YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1993-06-08 US disclosed
WO-1991016892-A1 STYRYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR PROTEIN TYROSINE KINASE RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-11-14 WO disclosed
US-4350833-A REACTING TEREPHTHALALDEHYDE WITH AN ALCOHOL IN PRESENCE OF ACID CATALYSTS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1982-09-21 US disclosed
JP-S56156229-A PREPARATION OF TEREPHTHALDIALDEHYDE MONOACETAL AND ITS PREPARATION AGENCY OF IND SCIENCE & TECHNOL 1981-12-02 JP 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-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC6, HDAC1, HDAC11 TYR 2452/4885ACHE 3689/4885PTGS2 3819/4885

“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.