SCHEMBL3188202

SCHEMBL3188202

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 2/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
ELANE P08246 1/20 0.55
APP P05067 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ABCB1 P08183 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
TERT O14746 1/20 0.51
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 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 0.91 CYP1B1 (0.57) CYP1B1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL3173373 0.85 CYP1B1 (0.54) CYP1B1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL3182363 0.82 KDM4E (0.59) MAPTKDM4EABCB1ABCG2GAA
SCHEMBL3191752 0.82 PARP1 (0.58) CYP1B1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL7168992 0.79 ALDH1A1 (0.68) CYP1B1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL3173991 0.79 PDE5A (0.62) ABCB1
SCHEMBL4057928 0.78 ACHE (0.76) CYP1B1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL3192344 0.77 DYRK1A (0.51) ALDH1A1MAPTAPPMEN1KMT2A
SCHEMBL7379704 0.74 DYRK1A (0.64) CYP1B1ALDH1A1MAPTAPPMEN1
SCHEMBL8307616 0.74 CYP1A1 (0.58) CYP1B1APPKDM4ETERTHDAC6

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 6 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
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.