SCHEMBL1807024

SCHEMBL1807024

COc1cc(C(=O)O)ccc1[NH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.69
▸ CA2 P00918 3/20 0.69
▸ CA12 O43570 2/20 0.69
▸ CA4 P22748 2/20 0.69
▸ CA6 P23280 2/20 0.69
▸ CA7 P43166 2/20 0.69
▸ CA9 Q16790 2/20 0.69
▸ CA14 Q9ULX7 2/20 0.69
▸ TPMT P51580 2/20 0.69
▸ HTT P42858 2/20 0.65
▸ TSHR P16473 4/20 0.59
▸ LMNA P02545 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TTR P02766 2/20 0.56
▸ PKM P14618 2/20 0.55
▸ CA3 P07451 1/20 0.55
▸ CA5A P35218 1/20 0.55
▸ CA5B Q9Y2D0 1/20 0.55
▸ PTGS2 P35354 1/20 0.52

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
SCHEMBL1806925 0.85 CA1 (0.69) CA1CA2CA12CA4CA6
SCHEMBL1804669 0.83 MAPK1 (0.58) CA1CA2CA12CA4CA6
SCHEMBL7933008 0.83 MAPT (0.62) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL976032 0.82 CA12 (1.00) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL114848 0.82 CA12 (1.00) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL29386353 0.82 CA12 (1.00) CA1CA2CA12CA4CA6
SCHEMBL10504331 0.80 PLK1 (0.53) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL5804511 0.80 CA12 (0.96) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL9513127 0.80 CA12 (0.96) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL28597713 0.80 CA12 (0.96) CA1CA2CA12CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 — — US claimed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — US disclosed
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 — — EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 — — US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 — — US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 — — 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 (2 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES CA1 4180/4885CA2 1743/4885CA12 4393/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CA1 798/4885CA2 1279/4885CA12 1243/4885

“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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