SCHEMBL6631336

SCHEMBL6631336

O=C(O)c1cc(O)[c]cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
PTGS2 P35354 2/20 0.45
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KDR P35968 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
TNF P01375 1/20 0.42
HSPD1 P10809 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 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
SCHEMBL6631206 0.84 ALDH1A1 (0.37) CA1CA2CA12CA7CA9
SCHEMBL6199351 0.82 ALDH1A1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL6634767 0.82 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL1813865 0.78 CA1 (0.42) CA1CA2CA12CA7CA9
SCHEMBL28692073 0.75 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL6201884 0.74 KDM4E (0.42) CA1CA2CA12CA7CA9
SCHEMBL163610 0.72 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL23796960 0.71 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL22206251 0.69 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL460201 0.69 CA1 (0.56) 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
US-20230150951-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS OM PHARMA SA (CH) 2023-05-18 US disclosed
EP-3878837-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS OM Pharma SA (CH) 2021-09-15 EP 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

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-20230150951-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS HRH4, NCOA4, HRH3 CA1 2578/4885CA2 2430/4885CA12 1921/4885

“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.