SCHEMBL3685709

SCHEMBL3685709

COc1ccc(-c2ccco2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP1A1 P04798 1/20 0.54
▸ CYP2E1 P05181 1/20 0.54
▸ CYP2C8 P10632 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2A6 P11509 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP4B1 P13584 1/20 0.54
▸ CYP2B6 P20813 1/20 0.54
▸ CYP3A5 P20815 1/20 0.54
▸ CYP2A7 P20853 1/20 0.54
▸ CYP3A7 P24462 1/20 0.54
▸ CYP2F1 P24903 1/20 0.54
▸ CYP2C18 P33260 1/20 0.54
▸ CYP2J2 P51589 1/20 0.54
▸ CYP4F2 P78329 1/20 0.54
▸ CYP4F8 P98187 1/20 0.54
▸ CYP4A11 Q02928 1/20 0.54

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
SCHEMBL9370414 0.82 CYP1A1 (0.51) CYP3A4CYP1A2CYP2C19CYP1A1CYP2E1
SCHEMBL10915716 0.81 IMPDH2 (0.59) RAB9AALDH1A1KDM4EHPGDMEN1
SCHEMBL21783928 0.81 KDM4E (0.51) RAB9AALDH1A1KDM4EHPGDMEN1
SCHEMBL27771980 0.80 KDM4E (0.52) CYP1A2CYP1A1CYP1B1RAB9AALDH1A1
SCHEMBL21241033 0.79 KDM4E (0.53) RAB9AALDH1A1KDM4EHPGDMEN1
SCHEMBL26259901 0.79 SMN1; SMN2 (0.49) CYP1A2CYP1A1CYP1B1RAB9AALDH1A1
SCHEMBL9670054 0.78 NPC1 (0.64) CYP3A4RAB9AALDH1A1KDM4EHPGD
SCHEMBL4895178 0.78 ALDH1A1 (0.51) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL15517371 0.78 MEN1 (0.62) RAB9AALDH1A1KDM4EHPGDMEN1
SCHEMBL26259490 0.77 RAB9A (0.47) RAB9AALDH1A1KDM4EHPGDMEN1

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
CN-105209449-B Inhibitors of the kynurenine pathway 库拉德夫制药私人有限公司 2019-02-01 — — CN claimed
US-9845317-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-12-19 — — US disclosed
US-9845317-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-12-19 — — US disclosed
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2016-12-29 — — US disclosed
US-9328102-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-03 — — US disclosed
US-9328102-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-03 — — US disclosed
US-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions NATIONAL SCIENCE FOUNDATION 2015-09-03 — — US disclosed
US-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions NATIONAL SCIENCE FOUNDATION 2015-09-03 — — US disclosed
US-9006463-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-14 — — US disclosed
US-9006463-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-14 — — US disclosed
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-11-28 — — US disclosed
US-8338601-B2 Slow release of organoboronic acids in cross-coupling reactions BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-25 — — US disclosed
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-13 — — US disclosed
WO-2010036921-A2 SLOW RELEASE OF ORGANOBORONIC ACIDS IN CROSS-COUPLING REACTIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-04-01 — — 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 (4 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-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 CYP3A4 1856/4885CYP1A2 3196/4885CYP2C19 1458/4885
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 CYP3A4 1856/4885CYP1A2 3196/4885CYP2C19 1458/4885
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 CYP3A4 1856/4885CYP1A2 3196/4885CYP2C19 1458/4885
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 CYP3A4 1856/4885CYP1A2 3196/4885CYP2C19 1458/4885

“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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