SCHEMBL4914987

SCHEMBL4914987

CCCC[C@]12Cc3cc(OCCOC)ccc3C1=CC(=O)[C@H]2CCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 8/20 0.35
PTPN1 P18031 1/20 0.34
OPRM1 P35372 1/20 0.33
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32

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
SCHEMBL4857357 0.91 ESR1 (0.37) THRATHRBESR1ESR2MEN1
SCHEMBL4858909 0.80 ESR2 (0.54) ESR1ESR2
SCHEMBL6150367 0.71 ESR2 (0.39) THRATHRBESR1ESR2MEN1
SCHEMBL4854661 0.67 ESR2 (0.55) ESR1ESR2MEN1NPC1ALDH1A1
SCHEMBL4859486 0.63 ESR2 (0.60) ESR1ESR2
SCHEMBL6151438 0.63 ESR2 (0.58) THRATHRBESR1ESR2
SCHEMBL31261902 0.62 TIPARP (0.42) ALDH1A1MAPTKMT2A
SCHEMBL31261900 0.62 TIPARP (0.42) ALDH1A1MAPTKMT2A
SCHEMBL4815741 0.62 MAOB (0.63)
SCHEMBL14926627 0.62 CA12 (0.51) THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-20060041003-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2006-02-23 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-20060041003-A1 Estrogen receptor modulators GPER1, ESR2, ESR1 THRA 406/4885THRB 584/4885ESR1 3/4885

“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.