Sugi Predict

Sugi Predict / Compounds / SCHEMBL683906

SCHEMBL683906

SCHEMBL683906

CC(C)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.57
▸ MAOB P27338 7/20 0.50
▸ HRH3 Q9Y5N1 3/20 0.48
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ GLRA1 P23415 1/20 0.47
▸ RXRA P19793 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAOA P21397 1/20 0.46

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
SCHEMBL13784398 0.91 MAOB (0.55) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL31166963 0.88 ALOX5 (0.50) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL27010416 0.87 ALOX5 (0.61) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL25146420 0.84 MAPK1 (0.53) ALOX5MAOBLMNAGLRA1RXRA
SCHEMBL19078684 0.84 RXRA (0.49) LMNAGLRA1RXRAMAPTL3MBTL1
SCHEMBL11974257 0.84 MAOB (0.57) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL17208245 0.84 ALOX5 (0.57) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL20865040 0.83 CYP4F2 (0.48) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL20526940 0.83 ALOX5 (0.56) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL15472489 0.83 ALOX5 (0.56) ALOX5MAOBHRH3LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 — — US disclosed
US-10851071-B2 M-dihydroxybenzene derivative crystal and salt, and manufacturing method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-12-01 — — US disclosed
CN-107108591-B Resorcinol derivatives as HSP90 inhibitors 正大天晴药业集团股份有限公司 2020-05-05 — — CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 — — US disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 — — US disclosed
US-20190284146-A1 M-DIHYDROXYBENZENE DERIVATIVE CRYSTAL AND SALT, AND MANUFACTURING METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-09-19 — — US disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 — — US disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 — — US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 — — US disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 — — EP disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 — — EP disclosed
US-9302998-B2 Aryl triazole compounds with antitumoural activity SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2016-04-05 — — US disclosed
EP-2655345-B1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA TAU RES SWITZERLAND SA (CH) 2015-02-18 — — EP disclosed
US-20140329812-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2014-11-06 — — US disclosed
EP-2655345-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU Research Switzerland S.A. (CH) 2013-10-30 — — EP disclosed
WO-2012084602-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2012-06-28 — — WO disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 — — US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 — — US disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 — — 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 (8 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-20140329812-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 ALOX5 2886/4885MAOB 3289/4885HRH3 2043/4885
US-20190284146-A1 M-DIHYDROXYBENZENE DERIVATIVE CRYSTAL AND SALT, AND MANUFACTURING METHOD THEREOF HSP90AB1, HSP90AA1, HSP90AB2P ALOX5 4176/4885MAOB 884/4885HRH3 3471/4885
US-10851071-B2 M-dihydroxybenzene derivative crystal and salt, and manufacturing method thereof HSP90AB1, HSP90AA1, HSP90AB2P ALOX5 4176/4885MAOB 884/4885HRH3 3471/4885
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P ALOX5 4121/4885MAOB 3850/4885HRH3 1946/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P ALOX5 4121/4885MAOB 3850/4885HRH3 1946/4885
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 ALOX5 4254/4885MAOB 3544/4885HRH3 3330/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ALOX5 720/4885MAOB 808/4885HRH3 2215/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 ALOX5 4254/4885MAOB 3544/4885HRH3 3330/4885

“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.