SCHEMBL4608181

SCHEMBL4608181

CS(=O)(=O)Oc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.84
ESR1 P03372 17/20 0.83
ESR2 Q92731 16/20 0.83
MEN1 O00255 2/20 0.83
ALDH1A1 P00352 2/20 0.83
LMNA P02545 2/20 0.83
TP53 P04637 2/20 0.83
CYP3A4 P08684 2/20 0.83
MAPT P10636 2/20 0.83
ALOX15 P16050 2/20 0.83
KMT2A Q03164 2/20 0.83
HSD17B10 Q99714 2/20 0.83
TDP1 Q9NUW8 2/20 0.83
PLD2 O14939 1/20 0.83
KDM1A O60341 1/20 0.83
NR1I2 O75469 1/20 0.83
USP2 O75604 1/20 0.83
C5 P01031 1/20 0.83
FYN P06241 1/20 0.83
PGR P06401 1/20 0.83

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
SCHEMBL10827879 0.94 ENPP3 (0.87) STSESR1ESR2MEN1ALDH1A1
SCHEMBL1439001 0.94 ENPP3 (0.87) STSESR1ESR2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL1438899 0.93 ENPP3 (0.85) STSESR1ESR2MEN1ALDH1A1
Raloxifene SCHEMBL2733917 0.93 ESR1 (0.90) STSESR1ESR2MEN1ALDH1A1
SCHEMBL10827744 0.93 ENPP3 (0.85) STSESR1ESR2MEN1ALDH1A1
SCHEMBL2234861 0.92 STS (1.00) STSESR1ESR2MEN1ALDH1A1
Raloxifene SCHEMBL1751808 0.91 ESR1 (0.93) STSESR1ESR2MEN1ALDH1A1
Raloxifene SCHEMBL3162158 0.91 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL6144 0.91 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5821250 0.91 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003116-A9 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-09-25 WO disclosed
EP-1641773-B1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-07-23 EP disclosed
US-20070100147-A1 Process for preparing raloxifene hydrochloride ERREGIERRE S.P.A (IT) 2007-05-03 US disclosed
EP-1641773-A1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE S.p.A. (IT) 2006-04-05 EP disclosed
WO-2005003116-A1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE S.P.A. (IT) 2005-01-13 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-20070100147-A1 Process for preparing raloxifene hydrochloride KAT2A, ADH1A, KAT2B STS 487/4885ESR1 78/4885ESR2 69/4885

“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.