SCHEMBL6901728

SCHEMBL6901728

O=[Se](OO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BBOX1 O75936 1/20 0.52
▸ EHMT2 Q96KQ7 1/20 0.52
▸ EHMT1 Q9H9B1 1/20 0.52
▸ TSHR P16473 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ F2 P00734 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ CES1 P23141 3/20 0.32
▸ ALOX15 P16050 3/20 0.32

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
SCHEMBL1165959 0.78 BBOX1 (0.50) BBOX1EHMT2EHMT1TSHRF2
Benzene SCHEMBL28248657 0.73 BBOX1 (0.46) BBOX1EHMT2EHMT1TSHRF2
Benzene Selenoic Acid SCHEMBL11047165 0.73 BBOX1 (0.73) BBOX1EHMT2EHMT1F2LMNA
Benzene Selenoic Acid SCHEMBL1440596 0.69 — —
SCHEMBL28188957 0.69 BBOX1 (0.41) BBOX1EHMT2EHMT1TSHRALDH1A1
SCHEMBL158572 0.67 BBOX1 (0.58) BBOX1EHMT2EHMT1TSHRTDP1
SCHEMBL7379226 0.67 — —
Benzene Selenoic Acid SCHEMBL27636752 0.67 BBOX1 (0.94) BBOX1EHMT2EHMT1TSHRCYP3A4
Benzene Selenoic Acid SCHEMBL28844455 0.67 BBOX1 (0.94) BBOX1EHMT2EHMT1TSHRCYP3A4
Benzene Selenoic Acid SCHEMBL8752795 0.67 BBOX1 (0.94) BBOX1EHMT2EHMT1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527573-B9 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES INC (US) 2022-07-06 — — EP disclosed
US-10975096-B2 Synthesis of polycyclic-carbamoylpyridone compounds GILEAD SCIENCES, INC. (US) 2021-04-13 — — US disclosed
EP-3783001-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS Gilead Sciences, Inc. (US) 2021-02-24 — — EP disclosed
EP-3527573-B1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES INC (US) 2020-08-12 — — EP disclosed
US-20200223866-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES, INC. 2020-07-16 — — US disclosed
EP-3527573-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS Gilead Sciences, Inc. (US) 2019-08-21 — — EP disclosed
US-20180022757-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES, INC. 2018-01-25 — — US disclosed
EP-3157933-A2 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS Gilead Sciences, Inc. (US) 2017-04-26 — — EP disclosed
US-20150368264-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES, INC. 2015-12-24 — — US disclosed
WO-2015195656-A2 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES ,INC. (US) 2015-12-23 — — WO disclosed
US-6833468-B2 Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing CENTRAL GLASS COMPANY, LIMITED (JP) 2004-12-21 — — US disclosed
US-6642409-B2 Reacting an imine with a hemiacetal; hydrolysis under acid conditions CENTRAL GLASS COMPANY, LIMITED (JP) 2003-11-04 — — US disclosed
US-6639100-B2 Baeyer-Villiger oxidation of an optically active 4,4,4-tri-fluoro-3-hydroxy-1-aryl-1-butanone; purification by precipitation and removing racemic crystals; agriculture; drugs; ferroelectric liquid crystals; chemical intermediates CENTRAL GLASS COMPANY, LIMITED (JP) 2003-10-28 — — US disclosed
US-20030100767-A1 Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing CENTRAL GLASS COMPANY, LIMITED 2003-05-29 — — US disclosed
US-20030088095-A1 Reacting an optically active imine with a hemiacetal of a perfluoroalkylaldehyde or a hydrate; hydrolyzing the condensate under an acid condition. CENTRAL GLASS COMPANY, LIMITED 2003-05-08 — — US disclosed
US-20020016511-A1 Reacting an imine with a hemiacetal; hydrolysis under acid conditions CENTRAL GLASS COMPANY, LIMITED (JP) 2002-02-07 — — 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 (7 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-20150368264-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS CPS1, SDHA, DHPS BBOX1 1218/4885EHMT2 2790/4885EHMT1 3102/4885
US-20200223866-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS CPS1, SDHA, DHPS BBOX1 1218/4885EHMT2 2790/4885EHMT1 3102/4885
US-20180022757-A1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS CPS1, SDHA, DHPS BBOX1 1218/4885EHMT2 2790/4885EHMT1 3102/4885
US-20030100767-A1 Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing ADH1C, ADH1A, HPD BBOX1 72/4885EHMT2 3401/4885EHMT1 2780/4885
US-20030088095-A1 Reacting an optically active imine with a hemiacetal of a perfluoroalkylaldehyde or a hydrate; hydrolyzing the condensate under an acid condition. ADH1C, ADH1A, HPD BBOX1 57/4885EHMT2 3102/4885EHMT1 2624/4885
US-20020016511-A1 Reacting an imine with a hemiacetal; hydrolysis under acid conditions ADH1C, ADH1A, HPD BBOX1 41/4885EHMT2 2902/4885EHMT1 2653/4885
US-10975096-B2 Synthesis of polycyclic-carbamoylpyridone compounds CPS1, SDHA, DHPS BBOX1 1218/4885EHMT2 2790/4885EHMT1 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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