SCHEMBL6715245

SCHEMBL6715245

COc1ccc(C(O)CNCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
AOC3 Q16853 1/20 0.58
LMNA P02545 2/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ADRB3 P13945 2/20 0.55
ATM Q13315 1/20 0.52
DNM1 Q05193 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL22461412 0.94 KDM4E (0.67) KDM4ESMN1; SMN2GAATDP1AOC3
SCHEMBL2297276 0.91 BCHE (0.63) KDM4ESMN1; SMN2GAATDP1LMNA
SCHEMBL2295136 0.91 BCHE (0.63) KDM4ESMN1; SMN2GAATDP1LMNA
SCHEMBL7649318 0.86 MEN1 (0.63) KDM4ESMN1; SMN2TDP1LMNAMEN1
SCHEMBL2297389 0.85 MITF (0.63) KDM4ESMN1; SMN2GAATDP1AOC3
SCHEMBL2293496 0.85 MITF (0.63) KDM4ESMN1; SMN2GAATDP1AOC3
SCHEMBL2296911 0.85 ADRB3 (0.56) KDM4ESMN1; SMN2GAATDP1AOC3
SCHEMBL2296487 0.85 ADRB3 (0.56) KDM4ESMN1; SMN2GAATDP1AOC3
SCHEMBL2295329 0.85 ADRB3 (0.56) KDM4ESMN1; SMN2GAATDP1AOC3
SCHEMBL9672979 0.85 MEN1 (0.67) KDM4ESMN1; SMN2GAATDP1LMNA

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 KDM4E 1201/4885SMN1; SMN2 3840/4885GAA 3639/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 KDM4E 1201/4885SMN1; SMN2 3840/4885GAA 3639/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 KDM4E 1201/4885SMN1; SMN2 3840/4885GAA 3639/4885

“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.