SCHEMBL6723079

SCHEMBL6723079

O=S(=O)(c1cccc2ccccc12)N1Cc2cc(O)ccc2C(c2ccc(O)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 1.00
ESR2 Q92731 8/20 1.00
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 7/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL6716517 0.83 ESR2 (1.00) ESR1ESR2MEN1KMT2A
SCHEMBL6716444 0.79 ESR2 (0.87) ESR1ESR2MEN1KMT2ATSHR
SCHEMBL6715462 0.76 ESR1 (0.70) ESR1ESR2TSHR
SCHEMBL751619 0.74 ESR1 (0.59) ESR1ESR2MEN1KMT2AEPHX2
SCHEMBL6718488 0.68 ESR1 (1.00) ESR1ESR2
SCHEMBL16814138 0.67 ESR1 (0.50) ESR1ESR2
SCHEMBL8564336 0.67 MEN1 (0.83) ESR1ESR2MEN1KMT2ACNR1
SCHEMBL6568319 0.66 MEN1 (0.71) ESR1ESR2MEN1KMT2ACNR1
SCHEMBL1503334 0.66 SLC6A2 (0.67)
SCHEMBL1120128 0.66 SLC6A2 (0.67)

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 3/4885MEN1 746/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885MEN1 746/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885MEN1 746/4885

“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.