SCHEMBL6727622

SCHEMBL6727622

Oc1ccc(-c2cnoc2-c2ccccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
ABCB1 P08183 2/20 0.46
BCR P11274 2/20 0.46
ESR2 Q92731 3/20 0.45
ESR1 P03372 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BCL2L1 Q07817 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDO2 P48775 2/20 0.41
RPS6KA3 P51812 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL1168336 0.81 RPS6KA3 (0.43) ESR2ESR1MEN1KMT2ARPS6KA3
SCHEMBL4448263 0.79 HPGD (0.50) ESR2ESR1HPGDALDH1A1BCL2L1
SCHEMBL11994386 0.78 MAPT (0.58) HPGDALDH1A1BCL2L1HSD17B10MEN1
SCHEMBL30203916 0.78 MAPT (0.58) HPGDALDH1A1BCL2L1HSD17B10MEN1
SCHEMBL31166650 0.75 BCL2L1 (0.71) ABL1ABCB1BCRESR2ESR1
SCHEMBL250077 0.75 BCL2L1 (0.71) ABL1ABCB1BCRESR2ESR1
SCHEMBL5649974 0.74 MEN1 (0.62) ESR2ESR1HPGDHSD17B10MEN1
SCHEMBL22672253 0.74 KMT2A (0.62) ESR2HSD17B10MEN1KMT2ANPC1
SCHEMBL30203914 0.74 KMT2A (0.62) ESR2HSD17B10MEN1KMT2ANPC1
SCHEMBL761938 0.74 NCOA1 (0.60) ALDH1A1HSD17B10MEN1KMT2ATDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 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 (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-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 ABL1 2787/4885ABCB1 1070/4885BCR 195/4885

“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.