SCHEMBL5657055

SCHEMBL5657055

Cc1c(-c2ccc(OC(C)C)cc2)[nH]c2ccc(OCc3ccccc3)c(Cc3ccc(OCCO)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
P2RX3 P56373 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ACACB O00763 1/20 0.34
CCNK O75909 1/20 0.34
CCND3 P30281 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
NR1I2 O75469 1/20 0.34
THRB P10828 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33

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
SCHEMBL5276098 0.67 MAPT (0.44) MCL1LMNAL3MBTL1MAPTGABRA1
SCHEMBL8634028 0.65 LMNA (0.60) MCL1LMNAL3MBTL1MAPTGAA
SCHEMBL4156110 0.65 CTSV (0.52) LMNAL3MBTL1MAPTGAASMN1; SMN2
SCHEMBL9270183 0.65 ALDH1A1 (0.54) LMNAL3MBTL1ACACBNR1I2GAA
SCHEMBL102598 0.65 TRPM8 (0.56) LMNAMAPTNR1I2GABRA1GABRG2
SCHEMBL29652545 0.65 TRPM8 (0.56) LMNAMAPTNR1I2GABRA1GABRG2
SCHEMBL4159903 0.64 ESR1 (0.61)
SCHEMBL4819108 0.64 ALDH1A1 (0.64) MCL1LMNAL3MBTL1MAPTGAA
SCHEMBL27378584 0.64 PPARG (0.56) MCL1LMNAL3MBTL1MAPTGAA
SCHEMBL9451327 0.64 ALDH1A1 (0.69) LMNAL3MBTL1MAPTGAASMN1; SMN2

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-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations WYETH (US) 2007-06-21 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-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations ESR1, ESR2, CYP19A1 MCL1 3905/4885P2RX3 1626/4885LMNA 3176/4885

“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.