SCHEMBL15425835

SCHEMBL15425835

O=COc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
ALOX5 P09917 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
PTPN1 P18031 3/20 0.50
PTPN2 P17706 1/20 0.50
PTPN6 P29350 1/20 0.50
MEN1 O00255 2/20 0.48
KDR P35968 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TNF P01375 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSPD1 P10809 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL17618927 0.85 ALDH1A1 (0.57) PTGS2CA1CA2CA12ALOX5
SCHEMBL13680103 0.85 ALDH1A1 (0.56) MEN1KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL27709150 0.81 CA12 (0.59) PTGS2CA1CA2CA12CA7
SCHEMBL11742219 0.80 PTGS2 (0.59) PTGS2CA1CA2CA12ALOX5
SCHEMBL16263287 0.80 LCK (0.41) CA1CA2CA12CA7CA9
SCHEMBL12050828 0.80 POLB (0.43) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL6279030 0.78 KDM4E (0.46) PTGS2CA1CA2CA12ALOX5
SCHEMBL29431885 0.77 CA1 (0.61) PTGS2CA1CA2CA12ALOX5
SCHEMBL128781 0.77 CA1 (0.61) PTGS2CA1CA2CA12ALOX5
SCHEMBL16263288 0.76 LCK (0.44) CA1CA2CA12CA7CA9

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
CN-103249455-A Process for dyeing keratin fibres using hydroxybenzaldehyde derivatives, oxidizing agents and alkalinizing agents in the presence of heat OREAL 2013-08-14 CN claimed
US-20170065547-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer ACTION MEDICINES, S.L. (ES) 2017-03-09 US disclosed
US-20140018460-A1 COMPOSITIONS FOR IMPROVING POLYESTERS NEXAM CHEMICAL AB (SE) 2014-01-16 US disclosed
CN-103249455-A Process for dyeing keratin fibres using hydroxybenzaldehyde derivatives, oxidizing agents and alkalinizing agents in the presence of heat OREAL 2013-08-14 CN disclosed
CN-101212972-B 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV 2011-06-08 CN disclosed
CN-101212972-A 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 CN 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-20170065547-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer CYP8B1, CYP26B1, CYP24A1 PTGS2 1090/4885CA1 1782/4885CA2 463/4885

“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.