SCHEMBL5595801

SCHEMBL5595801

O=Cc1cccc(OCCN2CCCCC2)c1-c1c(-c2ccc(O)cc2)sc2cc(O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.59
ESR2 Q92731 19/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
MAPT P10636 2/20 0.59
ALOX15 P16050 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
PLD2 O14939 1/20 0.59
KDM1A O60341 1/20 0.59
NR1I2 O75469 1/20 0.59
USP2 O75604 1/20 0.59
C5 P01031 1/20 0.59
FYN P06241 1/20 0.59
PGR P06401 1/20 0.59
ADRA2A P08913 1/20 0.59

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
SCHEMBL5595806 0.87 ESR1 (0.57) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL987943 0.84 ESR1 (0.64) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3974968 0.83 ESR1 (0.64) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7052893 0.82 ESR1 (0.56) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8090140 0.80 ESR1 (0.78) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7102286 0.79 ESR1 (0.67) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7095972 0.78 ESR1 (0.66) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL2896452 0.76 ESR1 (0.72) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL3691182 0.76 ESR1 (0.70) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL30420053 0.76 ESR1 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1738752-A1 Pharmaceutical combinations comprising cis-retine acid Schering Aktiengesellschaft (DE) 2007-01-03 EP claimed
EP-1641458-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-05 EP claimed
US-20050054647-A1 New pharmaceutical combination BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-10 US claimed
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO claimed
EP-1738752-A1 Pharmaceutical combinations comprising cis-retine acid Schering Aktiengesellschaft (DE) 2007-01-03 EP disclosed
US-20050054647-A1 New pharmaceutical combination BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-10 US 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-20050054647-A1 New pharmaceutical combination VEGFA, INHA, PGF ESR1 1012/4885ESR2 431/4885MEN1 353/4885

“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.