SCHEMBL6723073

SCHEMBL6723073

O=C(N1CCc2cc(O)ccc2C1c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 1.00
ESR2 Q92731 12/20 1.00
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA12 O43570 2/20 0.47

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
SCHEMBL6723023 0.93 ESR1 (1.00) ESR1ESR2CA1CA2CA7
SCHEMBL6715340 0.93 ESR1 (1.00) ESR1ESR2CA1CA2CA7
SCHEMBL6716363 0.88 ESR1 (0.86) ESR1ESR2CA1CA2CA7
SCHEMBL6713380 0.88 ESR1 (1.00) ESR1ESR2CA1CA2CA7
SCHEMBL6718525 0.84 ESR1 (0.73) ESR1ESR2CA1CA2CA7
SCHEMBL6715364 0.81 ESR1 (0.77) ESR1ESR2CA1CA2CA7
SCHEMBL6718455 0.81 ESR1 (0.77) ESR1ESR2
SCHEMBL23395323 0.81 ESR1 (0.73) ESR1ESR2CA1CA2CA7
SCHEMBL7109781 0.80 ESR1 (0.67) ESR1ESR2CA1CA2CA7
SCHEMBL7109785 0.80 ESR1 (0.67) ESR1ESR2CA1CA2CA7

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-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2004-09-30 US disclosed
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2003-11-27 US disclosed
US-6608203-B2 Devoid of unwanted side effects PFIZER INC. 2003-08-19 US disclosed
US-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2001-11-08 US disclosed
EP-1113007-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists PFIZER INC. (US) 2001-07-04 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 (3 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-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885CA1 4479/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885CA1 4479/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885CA1 4479/4885

“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.