SCHEMBL3191685

SCHEMBL3191685

COc1ccc(-c2cc(=O)c3c(O)cc(O)c(CCC(C)(C)O)c3o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.59
PARP2 Q9UGN5 3/20 0.59
APP P05067 3/20 0.56
MAOB P27338 2/20 0.55
CYP19A1 P11511 1/20 0.55
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
FLT3 P36888 3/20 0.53
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 2/20 0.53
CDK8 P49336 2/20 0.53
CDK9 P50750 2/20 0.53
IP6K2 Q9UHH9 2/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL3191752 0.91 PARP1 (0.58) PARP1PARP2APPMAOBCYP19A1
SCHEMBL3173373 0.88 CYP1B1 (0.54) PARP1PARP2APPALDH1A1MEN1
SCHEMBL3192458 0.87 PDE5A (0.53) PARP1PARP2CDK8PDE5AESR1
SCHEMBL3184919 0.87 PARP1 (0.57) PARP1PARP2PDE5AESR1PDE4D
SCHEMBL3192344 0.85 DYRK1A (0.51) PARP1PARP2APPALDH1A1MEN1
SCHEMBL19353997 0.84 PARP1 (0.65) PARP1PARP2APPMAOBCYP19A1
SCHEMBL19354126 0.84 PARP1 (0.60) PARP1PARP2APPMAOBCYP19A1
SCHEMBL31655473 0.82 PDE5A (0.67) APPCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3183521 0.82 PDE5A (0.67) APPCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3180019 0.81 PDE5A (0.55) CYP3A4MAPTCYP2D6ADORA3PDE5A

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 7 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-102018698-B Compounds and methods for treating estrogen receptor-related disorders SHENOGEN PHARMA GROUP LTD 2014-07-02 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 PARP1 1859/4885PARP2 2386/4885APP 588/4885

“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.