SCHEMBL4428549

SCHEMBL4428549

COc1cc(C)cc(C(Br)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.48
ACHE P22303 1/20 0.41
CA4 P22748 1/20 0.39
CASR P41180 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ACP3 P15309 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL15154559 0.80 CASR (0.51) ACHECA4CASRALDH1A1MTNR1A
SCHEMBL4423375 0.79 BRD4 (0.56) TACR1ACHECA4BRD4CREBBP
SCHEMBL871495 0.77 ACP3 (0.56) CA4ACP3ALDH1A1KMT2ANPSR1
Toluene SCHEMBL28329972 0.74 ACHE (0.42) TACR1ACHECA4CASRBRD4
SCHEMBL7681682 0.74 AOC3 (0.50) ACHECASRALDH1A1
SCHEMBL7518652 0.74 ACP3 (0.50) ACHEACP3ALDH1A1NPSR1
Toluene SCHEMBL8412975 0.72 LMNA (0.58) ACHEACP3
SCHEMBL17040915 0.72 TACR1 (0.46) TACR1ACHEALDH1A1
SCHEMBL2758299 0.71 ALDH1A1 (0.45) TACR1ACHEALDH1A1MEN1KMT2A
SCHEMBL7557988 0.71 GAA (0.45) ACHECA4CASRACP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
EP-2074102-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-07-01 EP disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO 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 (1 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-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands ESR1, GPER1, ESR2 TACR1 87/4885ACHE 2099/4885CA4 2426/4885

“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.