SCHEMBL1805221

SCHEMBL1805221

Cc1cc(C(=O)O)ccc1[NH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.52
▸ MYC P01106 2/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ PTPN7 P35236 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ GRM1 Q13255 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA6 P23280 2/20 0.45

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
SCHEMBL1803435 0.83 TSHR (0.52) TSHRMYCESR1ALOX15PTPN7
SCHEMBL1806407 0.81 PARP1 (0.48) TSHRHSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29421064 0.79 CES2 (0.63) TSHRMYCESR1ALOX15PTPN7
SCHEMBL310259 0.79 CES2 (0.63) TSHRMYCESR1ALOX15PTPN7
SCHEMBL7927352 0.78 TDP1 (0.53) TSHRALOX15HSD17B10TDP1MEN1
SCHEMBL44342 0.77 MYC (0.58) TSHRMYCESR1ALOX15PTPN7
Bromide SCHEMBL6113088 0.77 CES2 (0.61) TSHRMYCESR1ALOX15PTPN7
SCHEMBL6917731 0.77 CES2 (0.61) TSHRMYCESR1ALOX15PTPN7
Iodide SCHEMBL6113500 0.77 CES2 (0.61) TSHRMYCESR1ALOX15PTPN7
SCHEMBL6913463 0.77 CES2 (0.61) TSHRMYCESR1ALOX15PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 — — US disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 — — US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 — — EP 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 (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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 TSHR 3565/4885MYC 3750/4885ESR1 3102/4885

“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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