SCHEMBL6236653

SCHEMBL6236653

CC1(C)OB(C(=Cc2ccccc2)c2ccccc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.44
AKR1C1 Q04828 1/20 0.38
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.35
PRMT1 Q99873 1/20 0.35
APLNR P35414 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
ESR1 P03372 1/20 0.34
PLIN1 O60240 1/20 0.34
BCHE P06276 1/20 0.34
TNFRSF1A P19438 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
RECQL P46063 1/20 0.34
PLIN5 Q00G26 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL6236642 1.00 P4HB (0.44) P4HBAKR1C1LPLLIPGALDH1A1
SCHEMBL23233835 1.00 P4HB (0.44) P4HBAKR1C1LPLLIPGALDH1A1
SCHEMBL5704185 0.85 P4HB (0.45) P4HBLPLLIPGALDH1A1TSHR
SCHEMBL5704180 0.85 P4HB (0.45) P4HBLPLLIPGALDH1A1TSHR
SCHEMBL19359472 0.83 RAB9A (0.39) P4HBLPLLIPGALDH1A1TSHR
SCHEMBL19359471 0.83 RAB9A (0.39) P4HBLPLLIPGALDH1A1TSHR
SCHEMBL19359276 0.80 CYP1A2 (0.44) P4HBLPLLIPGALDH1A1MAPT
SCHEMBL19359565 0.80 CYP1A2 (0.44) P4HBLPLLIPGALDH1A1MAPT
SCHEMBL10299939 0.79 P4HB (0.41) P4HBLPLLIPGAPLNR
SCHEMBL5704275 0.79 APLNR (0.50) P4HBLPLLIPGALDH1A1TSHR

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
CN-113307727-A Piezochromic tetraphenyl vinyl compound and preparation method and application thereof 河北科技大学 2021-08-27 CN disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
CN-109265475-B Preparation method of polysubstituted aryl ethylene boronic acid pinacol ester derivative 清华大学 2020-08-04 CN disclosed
EP-3307748-A1 FRUSTRATED LEWIS PAIRS Oxford University Innovation Limited (GB) 2018-04-18 EP disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed
EP-2850087-B1 BETA-BORATION OF ALKENE AND ALKYNE INTERMEDIATES LEK PHARMACEUTICALS (SI) 2017-08-02 EP disclosed
WO-2016198892-A1 FRUSTRATED LEWIS PAIRS ISIS INNOVATION LIMITED (GB) 2016-12-15 WO disclosed
EP-2850087-A1 BETA-BORATION OF ALKENE AND ALKYNE INTERMEDIATES LEK Pharmaceuticals d.d. (SI) 2015-03-25 EP disclosed
WO-2013150125-A1 ß-BORATION OF ALKENE AND ALKYNE INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2013-10-10 WO disclosed
EP-2647639-A1 ß-boration of alkene and alkyne intermediates LEK Pharmaceuticals d.d. (SI) 2013-10-09 EP disclosed
EP-1121365-B1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMW SCIENT IND RES ORG (AU) 2005-06-08 EP disclosed
US-6713566-B1 CATALYTIC HYDROBORATION OF OLEFINIC OR ACETYLENIC FUNCTIONA-LIZED MATERIAL UNDER MILD CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-03-30 US disclosed
EP-1121365-A4 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMW SCIENT IND RES ORG (AU) 2002-03-06 EP disclosed
EP-1121365-A1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-08 EP disclosed
WO-2000021966-A1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-04-20 WO 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 (2 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-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 P4HB 2237/4885AKR1C1 2675/4885LPL 148/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 P4HB 2237/4885AKR1C1 2675/4885LPL 148/4885

“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.