SCHEMBL7471011

SCHEMBL7471011

O=COc1c(OC[C@H]2CO2)ccc2[nH]c(C(=O)O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.39
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
PTBP1 P26599 1/20 0.35
BLM P54132 1/20 0.34
GLA P06280 2/20 0.33
NGFR P08138 1/20 0.33
VDR P11473 1/20 0.33
DHFR P00374 1/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL7471021 1.00 SRD5A2 (0.39) SRD5A2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL7471699 0.87 SRD5A2 (0.40) SRD5A2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL7471694 0.87 SRD5A2 (0.40) SRD5A2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL7471706 0.87 SRD5A2 (0.40) SRD5A2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5585048 0.79 SRD5A2 (0.62) SRD5A2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5585050 0.79 SRD5A2 (0.62) SRD5A2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL7679588 0.71 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2GLAGAA
SCHEMBL5761452 0.69 SRD5A2 (0.48) SRD5A2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4385990 0.69 SRD5A2 (0.48) SRD5A2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6975228 0.69 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMEN1HPGD

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-0876372-B1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL GMBH (DE) 2002-03-06 EP disclosed
US-6353002-B2 DIOXINOINDOLE AND THIENOBENZODIOXIN COMPOUNDS WHICH ARE HT3 RECEPTOR ANTAGONISTS AND ARE USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-20010008903-A1 Therapeutic agents BIRCH ALAN MARTIN (GB) 2001-07-19 US disclosed
US-6201004-B1 CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
US-6107310-A PSYCHOLOGICAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
EP-0966470-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-29 EP disclosed
WO-1998040386-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-17 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-20010008903-A1 Therapeutic agents GPR119, SNCA, HTR2B SRD5A2 1095/4885ALDH1A1 3243/4885KDM4E 3328/4885

“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.