SCHEMBL3097655

SCHEMBL3097655

O=Cc1cc(C(=O)O)c(O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PTGS2 P35354 2/20 0.43
ALOX5 P09917 1/20 0.43
TSHR P16473 1/20 0.43
PTPN1 P18031 3/20 0.43
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TNF P01375 1/20 0.41
HSPD1 P10809 1/20 0.41

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
SCHEMBL14877998 0.91 ERN1 (0.46) ERN1CA1CA2ALDH1A1CA12
SCHEMBL166800 0.82 APP (0.49) ERN1CA1CA2ALDH1A1CA12
SCHEMBL1527102 0.81 HTT (0.49) ERN1ALDH1A1CA9KDM4ECYP3A4
SCHEMBL10111663 0.79 ERN1 (0.39) ERN1CA1CA2ALDH1A1CA12
SCHEMBL268435 0.79 ERN1 (0.39) ERN1CA1CA2ALDH1A1CA12
SCHEMBL17660183 0.78 ERN1 (0.52) ERN1
SCHEMBL460201 0.78 CA1 (0.56) CA1CA2ALDH1A1CA12CA7
SCHEMBL16077669 0.78 ERN1 (0.46) ERN1CA1CA2ALDH1A1CA12
SCHEMBL28709846 0.77 KMT2A (0.54) ERN1ALDH1A1KDM4ECYP3A4MAPT
Boric Acid SCHEMBL28474920 0.77 CA1 (0.50) CA1CA2ALDH1A1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11041812-B2 Fluorogenic pH-sensitive dyes, film and kit comprising the same SFC CO., LTD. (KR) 2021-06-22 US disclosed
US-10473666-B2 Dye compounds SFC CO., LTD. (KR) 2019-11-12 US disclosed
US-20180203015-A1 DYE COMPOUNDS SFC CO., LTD. (KR) 2018-07-19 US disclosed
US-20180203015-A1 DYE COMPOUNDS SFC CO., LTD. (KR) 2018-07-19 US disclosed
WO-2017010852-A1 DYE COMPOUND 에스에프씨 주식회사 2017-01-19 WO disclosed
EP-2236508-B1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates BECTON DICKINSON CO (US) 2015-08-26 EP disclosed
CN-101914093-B The umbelliferone class of reactive heterocyclic substituted and their binding substances BECTON DICKINSON AND CO. (US) 2015-08-26 CN disclosed
US-8431416-B2 Reactive heterocycle-substituted 7-hydroxycoumarins and their conjugates BECTON, DICKINSON AND COMPANY (US) 2013-04-30 US disclosed
US-8318953-B2 Reactive coumarin derivatives and their use in cellular analyses AAT BIOQUEST, INC. (US) 2012-11-27 US disclosed
US-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES AAT BIOQUEST, INC. (US) 2011-12-29 US disclosed
US-20100255504-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates BECTON, DICKINSON AND COMPANY (US) 2010-10-07 US disclosed
EP-2236508-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates Becton, Dickinson and Company (US) 2010-10-06 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 (3 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-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES CYP3A7, XPO7, HCCS ERN1 2008/4885CA1 3288/4885CA2 1887/4885
US-20100255504-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates HLCS, CD44, HCCS ERN1 4519/4885CA1 2577/4885CA2 2999/4885
US-10473666-B2 Dye compounds SQOR, MT-ND5, MT-ND2 ERN1 4024/4885CA1 1270/4885CA2 231/4885

“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.