SCHEMBL3779042

SCHEMBL3779042

COc1ccccc1N(CCO)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ESR1 P03372 1/20 0.42
ALDH1A1 P00352 2/20 0.41
AGTR1 P30556 1/20 0.40
AOC3 Q16853 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5604874 0.91 ESR1 (0.46) CA1CA2CA12CA4CA7
SCHEMBL28590662 0.87 TSHR (0.49) CA1CA2CA12CA4CA7
SCHEMBL15465790 0.83 MEN1 (0.49) CA1CA2CA12CA4CA7
SCHEMBL10690592 0.82 CA12 (0.46) CA1CA2CA12CA4CA7
SCHEMBL5965849 0.81 AOC3 (0.45) CA1CA2CA12CA4CA7
SCHEMBL30199730 0.81 TDP1 (0.51) MEN1KMT2APABPC1ALDH1A1LMNA
SCHEMBL20607672 0.81 KMT2A (0.42) MEN1KMT2APABPC1ALDH1A1AGTR1
SCHEMBL12495567 0.81 TDP1 (0.51) MEN1KMT2APABPC1ALDH1A1LMNA
SCHEMBL5470095 0.81 CA1 (0.44) CA1CA2CA12CA4CA7
SCHEMBL9763218 0.81 CA1 (0.44) CA1CA2CA12CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 EP disclosed
WO-2012120141-A1 Π (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIVERSITÄT POTSDAM (DE) 2012-09-13 WO disclosed
US-7858383-B2 Chromoionophore and method of determining sodium ions OPTI MEDICAL SYSTEMS (US) 2010-12-28 US disclosed
WO-2007131054-A2 CHROMOIONOPHORE AND METHOD OF DETERMINING SODIUM IONS OPTI MEDICAL SYSTEMS (US) 2007-11-15 WO disclosed
US-20070259444-A1 ions are contacted with a compound having chromophoric and ionophoric moieties; the ionophoric moiety interacts with the ions present resulting in the chromophoric moiety changing its radiation absorption properties in the ultraviolet and visible regions of the spectrum; whole blood, plasma, serum, urine OPTI MEDICAL SYSTEMS, INC. 2007-11-08 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP disclosed
EP-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
WO-1991010709-A1 WATER-SOLUBLE DYES WHICH REACT WITH FIBRES, PROCESS FOR PRODUCING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-25 WO disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed
EP-0388864-A2 Water-soluble, fibre-reactive dyes, method of their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-26 EP disclosed
EP-0104253-B1 STABILIZER COMPOSITIONS FOR ANTIFOULING PAINTS M & T CHEMICALS, INC. (US) 1986-11-20 EP disclosed
US-4547532-A Antifouling paint M&T CHEMICALS INC. (US) 1985-10-15 US disclosed
US-4477635-A Polymeric triarylmethane dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-16 US disclosed
US-4217102-A Polyamides dyed with rubine disazo acid dyes and process therefore Toms River Chemical Company (US) 1980-08-12 US disclosed
US-4173565-A Rubine disazo acid dyes for polyamides TOMS RIVER CHEMICAL CORPORATION (US) 1979-11-06 US disclosed
US-3997519-A Method of producing quaternary pyridinium compounds GAF CORPORATION (US) 1976-12-14 US disclosed
US-3936556-A Marking of articles BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 CA1 4573/4885CA2 2999/4885CA12 4847/4885

“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.