SCHEMBL643849

SCHEMBL643849

COc1ccc(OP(=O)(Cl)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HPGD P15428 1/20 0.48
PKM P14618 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLK1 P53350 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
SCHEMBL10015246 0.87 MEN1 (0.48) CA1CA2HPGDCYP3A4TSHR
SCHEMBL9621857 0.86 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL9702457 0.82 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL3756382 0.81 TSHR (0.67) CA1CA2CA9HPGDLMNA
SCHEMBL3084512 0.80 CYP3A4 (0.65) CA1CA2CA7CA9CA12
SCHEMBL9622317 0.80 CYP3A4 (0.65) CA1CA2CA7CA9CA12
SCHEMBL11099557 0.79 HCRTR1 (0.56) CA1CA2CA7CA9LMNA
SCHEMBL561706 0.78 MEN1 (0.64) CA1CA2CA9CA14HPGD
SCHEMBL16998320 0.78 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL9621858 0.77 CYP3A4 (0.50) CA1CA2CA7CA9CA12

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114232338-A Waterproof flame-retardant protective clothing and preparation process thereof 安徽上造智能设备科技有限公司 2022-03-25 CN claimed
US-10584202-B2 Photovoltaic element TORAY INDUSTRIES, INC (JP) 2020-03-10 US claimed
CN-115353607-A Preparation method of tough and flame-retardant bio-based polyurethane elastomer 中国林业科学研究院林产化学工业研究所 2022-11-18 CN disclosed
CN-114232338-A Waterproof flame-retardant protective clothing and preparation process thereof 安徽上造智能设备科技有限公司 2022-03-25 CN disclosed
US-10584202-B2 Photovoltaic element TORAY INDUSTRIES, INC (JP) 2020-03-10 US disclosed
EP-3133659-B1 METHOD FOR FORMING AN ELECTRON EXTRACTION LAYER TORAY INDUSTRIES (JP) 2019-05-22 EP disclosed
EP-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
EP-3133659-A1 PHOTOVOLTAIC ELEMENT Toray Industries, Inc. (JP) 2017-02-22 EP disclosed
US-20170033304-A1 PHOTOVOLTAIC ELEMENT TORAY INDUSTRIES, INC. (JP) 2017-02-02 US disclosed
WO-2012103990-A1 PHOSPHORAMIDATES OF MONOSACCHARIDES BIOIBERICA, S.A. (ES) 2012-08-09 WO disclosed
EP-2471802-A1 Phosphoramidates of monosaccharides Bioiberica, S.A. (ES) 2012-07-04 EP disclosed
US-20070275910-A1 Phosphoramidate Derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2007-11-29 US disclosed
US-20070275910-A1 Phosphoramidate Derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2007-11-29 US disclosed
US-20070042988-A1 Antiviral phosphoramidates ROCHE PALO ALTO LLC 2007-02-22 US disclosed
US-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains PARKER HUGHES INSTITUTE (US) 2007-01-18 US disclosed
EP-1709056-A1 PHOSPHORAMIDATE DERIVATIVES University College Cardiff Consultants Limited (GB) 2006-10-11 EP disclosed
WO-2005070944-A1 PHOSPHORAMIDATE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2005-08-04 WO disclosed
EP-0019401-B1 PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN Lilly Industries Limited (GB) 1984-03-21 EP disclosed
US-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 US disclosed
EP-0019401-A1 Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin Lilly Industries Limited (GB) 1980-11-26 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-20070042988-A1 Antiviral phosphoramidates RPP30, RNASE1, ADORA2B CA1 4798/4885CA2 4632/4885CA7 4631/4885
US-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains TYMP, PNP, APRT CA1 4877/4885CA2 4572/4885CA7 4538/4885
US-20070275910-A1 Phosphoramidate Derivatives HRH4, HRH3, NR1H4 CA1 1019/4885CA2 689/4885CA7 961/4885

“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.