SCHEMBL20534166

SCHEMBL20534166

CCCC(=Cc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.61
ESR2 Q92731 4/20 0.61
CYP3A4 P08684 1/20 0.45
HSPD1 P10809 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
HSPE1 P61604 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CYP19A1 P11511 1/20 0.42
HSD17B3 P37058 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NQO2 P16083 1/20 0.41

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
SCHEMBL20534163 1.00 ESR1 (0.61) ESR1ESR2CYP3A4HSPD1PKM
SCHEMBL9258167 0.91 ESR1 (0.72) ESR1ESR2KMT2AHSD17B3KDM4E
SCHEMBL9258161 0.91 ESR1 (0.72) ESR1ESR2KMT2AHSD17B3KDM4E
SCHEMBL20534185 0.90 ESR1 (0.57) ESR1ESR2CES2CES1MTNR1A
SCHEMBL20534184 0.90 ESR1 (0.57) ESR1ESR2CES2CES1MTNR1A
SCHEMBL4614326 0.89 MTNR1A (0.53) ESR1ESR2KMT2ACES2CES1
SCHEMBL4614904 0.89 MTNR1A (0.53) ESR1ESR2KMT2ACES2CES1
SCHEMBL6548206 0.86 MAPT (0.47) ESR1ESR2CYP3A4RAB9AKMT2A
SCHEMBL9622832 0.86 ESR1 (0.82) ESR1ESR2MTNR1AMTNR1BCYP19A1
SCHEMBL3988719 0.86 ESR1 (0.82) ESR1ESR2MTNR1AMTNR1BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590056-B2 ERR modulators and uses thereof CITY OF HOPE (US) 2020-03-17 US disclosed
US-20180297923-A1 ERR MODULATORS AND USES THEREOF CITY OF HOPE 2018-10-18 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 (2 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-20180297923-A1 ERR MODULATORS AND USES THEREOF ESRRA, ESRRB, ESRRG ESR1 43/4885ESR2 7/4885CYP3A4 767/4885
US-10590056-B2 ERR modulators and uses thereof ESRRA, ESRRB, ESRRG ESR1 43/4885ESR2 7/4885CYP3A4 767/4885

“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.