SCHEMBL2989887

SCHEMBL2989887

OCC1=CC[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ PTPN1 P18031 8/20 0.49
▸ HSP90AA1 P07900 4/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ MAPT P10636 1/20 0.38

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
Aucubin SCHEMBL381032 0.78 L3MBTL1 (1.00) L3MBTL1PTPN1HSP90AA1
Aucubin SCHEMBL22680274 0.78 L3MBTL1 (1.00) L3MBTL1PTPN1HSP90AA1
Aucubin SCHEMBL22680275 0.78 L3MBTL1 (1.00) L3MBTL1PTPN1HSP90AA1
SCHEMBL29544442 0.77 L3MBTL1 (0.55) L3MBTL1PTPN1HSP90AA1STAT3MAPT
Geniposide SCHEMBL28006822 0.73 PTPN1 (0.70) PTPN1STAT3MAPT
Geniposide SCHEMBL21765150 0.73 PTPN1 (0.70) PTPN1STAT3MAPT
SCHEMBL29425905 0.71 L3MBTL1 (0.48) L3MBTL1PTPN1HSP90AA1STAT3MAPT
SCHEMBL30558037 0.71 L3MBTL1 (0.75) L3MBTL1HSP90AA1MAPT
SCHEMBL30904657 0.71 PTPN1 (0.64) PTPN1STAT3MAPT
Trehalose SCHEMBL25304700 0.70 MEN1 (0.57) L3MBTL1PTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104782367-A Artificial cultivation method for savatier monochasma herb WANBANGDE HUNAN NATURAL PHARMACEUTICAL CO LTD 2015-07-22 — — CN disclosed
US-20150150770-A1 METHODS OF TREATING SKIN TRACIE MARTYN INTERNATIONAL INC (US) 2015-06-04 — — US disclosed
US-20140155961-A1 METHODS OF TREATING SKIN Tracie Martyn International, Inc. (US) 2014-06-05 — — US disclosed
WO-2013172640-A1 COMPOSITION HAVING HEAT SHOCK PROTEIN INDUCTION ACTIVITY AND COMPRISING COMPOUND ISOLATED FROM EUCOMMIA ULMOIDES 이화여자대학교 산학협력단 (KR) 2013-11-21 — — WO disclosed
CN-103197008-A Method for controlling quality of Yanning granules HUIZHOU JIUHUI PHARMACEUTICAL CO LTD 2013-07-10 — — CN disclosed
US-20100272790-A1 Methods of Treating Skin TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-10-28 — — US disclosed
CN-101129391-B Medicament for eliminating OH free radical CHINESE MEDICINE AND ETHNIC DRUG INST XINJIANG UYGUR AUTONOMOUS REGION 2010-09-29 — — CN disclosed
US-7776915-B2 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-08-17 — — US disclosed
CN-101129391-A Medicament for eliminating OH free radical XINJIANG UYGUR AUTONOMOUS REGI (CN) 2008-02-27 — — CN disclosed
US-20060216251-A1 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2006-09-28 — — US disclosed
WO-1996010408-A1 CARDIOACTIVE COMPOUNDS ISOLATED FROM WOODY PERENNIALS THE EXECUTIVE DIRECTOR OF THE WESTERN AUSTRALIAN DEPARTMENT OF CONSERVATION AND LAND MANAGEMENT (AU) 1996-04-11 — — 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-20140155961-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT L3MBTL1 574/4885PTPN1 4651/4885HSP90AA1 1810/4885
US-20100272790-A1 Methods of Treating Skin CUTA, LIPA, DLAT L3MBTL1 574/4885PTPN1 4651/4885HSP90AA1 1810/4885
US-20150150770-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT L3MBTL1 574/4885PTPN1 4651/4885HSP90AA1 1810/4885
US-20060216251-A1 Topical formulations and methods of use CPT1B, SLC25A20, CPT1A L3MBTL1 847/4885PTPN1 3980/4885HSP90AA1 1768/4885

“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.

Send feedback