SCHEMBL3173373

SCHEMBL3173373

COc1ccc(-c2cc(=O)c3c(O)cc(O)c(CCC(C)(C)O)c3o2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
ELANE P08246 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ABCB1 P08183 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
TERT O14746 1/20 0.52
APP P05067 1/20 0.50
BCL2 P10415 1/20 0.50

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
SCHEMBL3195391 0.94 CYP1B1 (0.57) CYP1B1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL3192344 0.91 DYRK1A (0.51) ALDH1A1MAPTDYRK1ADYRK1BKDM4E
SCHEMBL3191685 0.88 PARP1 (0.59) CYP1B1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL3188202 0.85 CYP1B1 (0.56) CYP1B1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL3192458 0.83 PDE5A (0.53) ABCB1PARP1PARP2AKT1
SCHEMBL3184919 0.83 PARP1 (0.57) ABCB1PARP1PARP2AKT1
SCHEMBL3192814 0.82 KDM4E (0.57) MAPTKDM4EABCB1ABCG2GAA
SCHEMBL8307616 0.81 CYP1A1 (0.58) CYP1B1DYRK1ADYRK1BKDM4ETERT
SCHEMBL7379704 0.81 DYRK1A (0.64) CYP1B1ALDH1A1MAPTDYRK1ADYRK1B
SCHEMBL8574988 0.79 DYRK1A (0.50) CYP1B1ALDH1A1MAPTCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262366-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES Shenogen Pharma Group Ltd. (CN) 2010-12-22 EP claimed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 US claimed
WO-2009129372-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2009-10-22 WO claimed
CN-103965172-A Compounds and methods for treating estrogen receptor-related disorders SHENOGEN PHARMA GROUP LTD 2014-08-06 CN disclosed
CN-103965173-A Compounds and methods for treating estrogen receptor-related disorders HENOGEN PHARMA GROUP LTD 2014-08-06 CN disclosed
CN-102018698-B Compounds and methods for treating estrogen receptor-related disorders SHENOGEN PHARMA GROUP LTD 2014-07-02 CN disclosed
CN-103755673-A Compounds and methods for treating estrogen receptor-related disorders SHENOGEN PHARMA GROUP LTD 2014-04-30 CN disclosed
EP-2262366-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES Shenogen Pharma Group Ltd. (CN) 2010-12-22 EP disclosed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 US disclosed
WO-2009129372-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2009-10-22 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 (1 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-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES ESR2, ESR1, ESRRB CYP1B1 2239/4885ALDH1A1 1811/4885MAPT 3901/4885

“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.