SCHEMBL4145654

SCHEMBL4145654

CCOc1ccc(O)c(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 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
SCHEMBL3786075 0.81 KDM4E (0.49) NQO1MAPTALDH1A1HSD17B10LTA4H
SCHEMBL1051397 0.79 LTA4H (0.57) NQO1MAPTALDH1A1HSD17B10LTA4H
SCHEMBL1348419 0.79 NQO1 (0.46) NQO1MAPTALDH1A1HSD17B10LTA4H
SCHEMBL3780954 0.79 MEN1 (0.56) NQO1MAPTALDH1A1HSD17B10LTA4H
SCHEMBL29952344 0.79 NQO1 (0.46) NQO1MAPTALDH1A1HSD17B10LTA4H
SCHEMBL544415 0.79 NQO1 (0.46) NQO1MAPTALDH1A1HSD17B10LTA4H
SCHEMBL28847519 0.78 NQO1 (0.54) NQO1MAPTALDH1A1HSD17B10LTA4H
SCHEMBL29952460 0.78 ERN1 (0.55) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL7238518 0.78 ERN1 (0.55) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL3793494 0.77 KDM4E (0.53) NQO1MAPTALDH1A1HSD17B10LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
CN-100374438-C Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES INC (US) 2008-03-12 CN disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
CN-1726212-A Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES INC (US) 2006-01-25 CN disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 NQO1 115/4885MAPT 4600/4885ALDH1A1 1113/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 NQO1 111/4885MAPT 4371/4885ALDH1A1 2541/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 NQO1 111/4885MAPT 4371/4885ALDH1A1 2541/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 NQO1 113/4885MAPT 4602/4885ALDH1A1 1902/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE NQO1 1131/4885MAPT 2025/4885ALDH1A1 2788/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE NQO1 1131/4885MAPT 2025/4885ALDH1A1 2788/4885

“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.