SCHEMBL641985

SCHEMBL641985

Oc1ccc(C(=Cc2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 1.00
ESR2 Q92731 5/20 0.78
CYP19A1 P11511 4/20 0.63
CYP11B2 P19099 2/20 0.55
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH2 P05091 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50
F3 P13726 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HSPE1 P61604 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1B1 Q16678 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 2/20 0.47
CES2 O00748 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8639467 0.98 ESR1 (0.96) ESR1ESR2CYP19A1CYP11B2MAPT
SCHEMBL1948717 0.98 ESR1 (0.96) ESR1ESR2CYP19A1CYP11B2MAPT
SCHEMBL1948714 0.98 ESR1 (0.96) ESR1ESR2CYP19A1CYP11B2MAPT
Phenol SCHEMBL18863020 0.91 ESR1 (0.83) ESR1ESR2CYP19A1CYP11B2TDP1
SCHEMBL14354218 0.91 ESR1 (0.83) ESR1ESR2CYP19A1CYP11B2CYP3A4
SCHEMBL4612465 0.88 ESR1 (0.78) ESR1ESR2CYP19A1CYP11B2MAPT
SCHEMBL14391815 0.86 ESR1 (0.73) ESR1ESR2CYP19A1MAPTMEN1
SCHEMBL55433 0.85 ESR1 (0.74) ESR1ESR2CYP19A1CYP11B2MAPT
SCHEMBL22046628 0.85 ESR1 (0.72) ESR1ESR2CYP19A1CYP11B2MAPT
Phosphine SCHEMBL28461311 0.83 ESR1 (0.71) ESR1ESR2CYP19A1CYP11B2MAPT

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 4 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
US-8119695-B2 Compounds and methods for treating breast cancer and other diseases CITY OF HOPE (US) 2012-02-21 US disclosed
US-20090176305-A1 COMPOUNDS AND METHODS FOR TREATING BREAST CANCER AND OTHER DISEASES CITY OF HOPE 2009-07-09 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 7/4885CYP19A1 74/4885
US-10590056-B2 ERR modulators and uses thereof ESRRA, ESRRB, ESRRG ESR1 43/4885ESR2 7/4885CYP19A1 74/4885

“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.