SCHEMBL677661

SCHEMBL677661

O=C1C[C@H](c2ccc(O)cc2O)Oc2c(O)cc(O)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63
TYR P14679 1/20 0.63
AR P10275 5/20 0.58
CYP3A4 P08684 1/20 0.58
IDO1 P14902 1/20 0.51
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
ADORA3 P0DMS8 1/20 0.46
HSD11B1 P28845 1/20 0.46
AKR1C3 P42330 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
YES1 P07947 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 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
SCHEMBL349721 0.84 CYP19A1 (0.62) CYP19A1ARCYP3A4MAOAMAOB
SCHEMBL1508800 0.81 CYP19A1 (0.64) CYP19A1ARCYP3A4MAOAMAOB
SCHEMBL28030288 0.81 CYP19A1 (0.72) CYP19A1PTGS1PTGS2TYRAR
SCHEMBL27860085 0.81 CYP19A1 (0.51) CYP19A1ARCYP3A4TUBB4ATUBB
SCHEMBL28035030 0.79 AR (0.74) CYP19A1PTGS1PTGS2TYRAR
SCHEMBL2781916 0.79 MAPT (0.71) CYP19A1PTGS2CYP3A4TUBB4ATUBB
SCHEMBL15544304 0.78 MAPT (0.55) CYP19A1ARCYP3A4TUBB4ATUBB
Steppogenin SCHEMBL6822729 0.77 CYP19A1 (1.00) CYP19A1PTGS1PTGS2TYRCYP3A4
Steppogenin SCHEMBL29649083 0.77 CYP19A1 (1.00) CYP19A1PTGS1PTGS2TYRCYP3A4
Steppogenin SCHEMBL677660 0.77 CYP19A1 (1.00) CYP19A1PTGS1PTGS2TYRCYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018552-A1 USE OF COMPOUNDS ISOLATED FROM MORUS BARK DONG WHA PHARM. CO., LTD. (KR) 2014-01-16 US claimed
US-6737439-B2 ACTIVE CANCER CHEMOPREVENTATIVE AND TREATING AGENTS IN MAMMALS, INCLUDING HUMANS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2004-05-18 US claimed
US-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS THE 2003-07-03 US claimed
US-20190142940-A1 Method and system for effecting changes in pigmented tissue MOAZED KAMBIZ THOMAS (US) 2019-05-16 US disclosed
US-9744237-B2 Method and system for effecting changes in pigmented tissue MOAZED KAMBIZ THOMAS (US) 2017-08-29 US disclosed
WO-2014168458-A1 USE OF COMPOUNDS ISOLATED FROM MORUS BARK DONG WHA PHARM. CO., LTD. (KR) 2014-10-16 WO disclosed
EP-2691092-A2 USE OF COMPOUNDS ISOLATED FROM MORUS BARK Dong Wha Pharm. Co., Ltd. (KR) 2014-02-05 EP disclosed
EP-2691092-A2 USE OF COMPOUNDS ISOLATED FROM MORUS BARK Dong Wha Pharm. Co., Ltd. (KR) 2014-02-05 EP disclosed
US-20140018552-A1 USE OF COMPOUNDS ISOLATED FROM MORUS BARK DONG WHA PHARM. CO., LTD. (KR) 2014-01-16 US disclosed
US-20140018552-A1 USE OF COMPOUNDS ISOLATED FROM MORUS BARK DONG WHA PHARM. CO., LTD. (KR) 2014-01-16 US disclosed
CN-103476408-A Application of compound separated from cortex mori DONG WHA PHARM CO LTD 2013-12-25 CN disclosed
WO-2012134126-A2 USE OF COMPOUNDS ISOLATED FROM MORUS BARK DONG WHA PHARM. CO., LTD. (KR) 2012-10-04 WO disclosed
US-20120207809-A1 Method and system for effecting changes in pigmented tissue MOAZED KAMBIZ THOMAS (US) 2012-08-16 US disclosed
US-20120076848-A1 METHOD AND SYSTEM FOR EFFECTING CHANGES IN PIGMENTED TISSUE MOAZED KAMBIZ THOMAS (US) 2012-03-29 US disclosed
US-20110280909-A1 METHOD AND SYSTEM FOR EFFECTING CHANGES IN PIGMENTED TISSUE MOAZED KAMBIZ THOMAS (US) 2011-11-17 US disclosed
WO-2011011065-A1 METHOD AND SYSTEM FOR EFFECTING CHANGES IN PIGMENTED TISSUE MOAZED KAMBIZ THOMAS (US) 2011-01-27 WO disclosed
WO-2010087983-A1 METHOD AND SYSTEM FOR EFFECTING CHANGES IN PIGMENTED TISSUE MOAZED KAMBIZ THOMAS (US) 2010-08-05 WO disclosed
US-6737439-B2 ACTIVE CANCER CHEMOPREVENTATIVE AND TREATING AGENTS IN MAMMALS, INCLUDING HUMANS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2004-05-18 US disclosed
US-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS THE 2003-07-03 US disclosed
WO-2003013554-A2 AROMATASE INHIBITORS FROM BROUSSONETIA PAPYRIFERA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-02-20 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-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera CYP19A1, HSD17B11, CYP17A1 CYP19A1 1/4885PTGS1 35/4885PTGS2 65/4885
US-20140018552-A1 USE OF COMPOUNDS ISOLATED FROM MORUS BARK AGER, MORF4L1, HNRNPF CYP19A1 4159/4885PTGS1 267/4885PTGS2 507/4885

“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.