SCHEMBL987943

SCHEMBL987943

O=Cc1ccc(OCCN2CCCCC2)cc1-c1c(-c2ccc(O)cc2)sc2cc(O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.64
ESR2 Q92731 18/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
TP53 P04637 2/20 0.64
CYP3A4 P08684 2/20 0.64
MAPT P10636 2/20 0.64
ALOX15 P16050 2/20 0.64
KMT2A Q03164 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
PLD2 O14939 1/20 0.64
KDM1A O60341 1/20 0.64
NR1I2 O75469 1/20 0.64
USP2 O75604 1/20 0.64
C5 P01031 1/20 0.64
FYN P06241 1/20 0.64
PGR P06401 1/20 0.64
ADRA2A P08913 1/20 0.64

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
Hydrochloric Acid SCHEMBL3974968 0.99 ESR1 (0.64) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7092816 0.88 ESR1 (0.63) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL3691182 0.87 ESR1 (0.70) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL31247338 0.86 ESR1 (0.70) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5595806 0.85 ESR1 (0.57) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5595801 0.84 ESR1 (0.59) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8577743 0.84 ESR1 (0.44) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8090140 0.84 ESR1 (0.78) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8866853 0.84 ENPP3 (0.56) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7942841 0.81 ESR1 (0.52) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041687-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2022-02-10 US disclosed
EP-2446276-B9 METHODS FOR DETERMINING THE ONCOGENIC CONDITION OF CELL, USES THEREOF, AND METHODS FOR TREATING CANCER INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-05-04 EP disclosed
EP-2446276-B1 METHODS FOR DETERMINING THE ONCOGENIC CONDITION OF CELL, USES THEREOF, AND METHODS FOR TREATING CANCER INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2014-08-20 EP disclosed
EP-2448562-B1 RALOXIFENE COMPOSITION SYNTHON BV (NL) 2013-11-06 EP disclosed
EP-2242483-B1 RALOXIFENE COMPOSITION SYNTHON BV (NL) 2013-02-20 EP disclosed
EP-2448562-A2 RALOXIFENE COMPOSITION Synthon B.V. (NL) 2012-05-09 EP disclosed
EP-2446276-A1 METHODS FOR DETERMINING THE ONCOGENIC CONDITION OF CELL, USES THEREOF, AND METHODS FOR TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-05-02 EP disclosed
WO-2011000581-A2 RALOXIFENE COMPOSITION SYNTHON B.V. (NL) 2011-01-06 WO disclosed
WO-2010149941-A1 METHODS FOR DETERMINING THE ONCOGENIC CONDITION OF CELL, USES THEREOF, AND METHODS FOR TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-12-29 WO disclosed
EP-2242483-A1 RALOXIFENE COMPOSITION Synthon B.V. (NL) 2010-10-27 EP disclosed
WO-2009080364-A1 RALOXIFENE COMPOSITION SYNTHON B.V. (NL) 2009-07-02 WO disclosed
EP-0703231-B1 2-(4-Hydroxyphenyl)benzothiophene compounds, compositions and methods for alleviating the symptoms of post-menopause syndrome LILLY CO ELI (US) 2002-05-02 EP 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-20220041687-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) CARS1, CD74, HAVCR2 ESR1 1749/4885ESR2 1225/4885MEN1 4288/4885

“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.