SCHEMBL10170720

SCHEMBL10170720

CC(C)CN1CC(Oc2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.60
ESR2 Q92731 18/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
PLD2 O14939 1/20 0.57
KDM1A O60341 1/20 0.57
NR1I2 O75469 1/20 0.57
USP2 O75604 1/20 0.57
C5 P01031 1/20 0.57
FYN P06241 1/20 0.57
PGR P06401 1/20 0.57
ADRA2A P08913 1/20 0.57

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 SCHEMBL9956922 0.99 ESR1 (0.59) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL10170724 0.90 ESR1 (0.61) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL10169710 0.88 ESR1 (0.66) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL10169925 0.88 ESR1 (0.65) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL30558241 0.87 ESR1 (0.61) ESR1ESR2MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL9960211 0.87 ESR1 (0.64) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL10170716 0.86 ESR1 (0.61) ESR1ESR2MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL9956666 0.85 ESR1 (0.61) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL10170723 0.85 ESR1 (0.61) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL30558272 0.84 ESR1 (0.65) ESR1ESR2MEN1KMT2ATDP1

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
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 US disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 US disclosed
WO-2012084711-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MSD OSS B.V. (NL) 2012-06-28 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-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MEN1 1013/4885

“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.