SCHEMBL6313141

SCHEMBL6313141

CCCCCOc1ccc2c(c1Cl)CC1CCC(=O)C(C(F)(F)F)=C21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
THRA P10827 3/20 0.32
CNR2 P34972 2/20 0.32
PPARD Q03181 1/20 0.31
HTR2C P28335 2/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
PLA2G2D Q9UNK4 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL13664789 0.63 THRA (0.46) THRBTHRAPLA2G2DPDE4APDE4B
SCHEMBL2417435 0.61 ESR2 (0.61) ESR1ESR2
SCHEMBL12968236 0.60 SMN1; SMN2 (0.41) THRBESR1THRAHTR2C
SCHEMBL31156940 0.60 KDM4E (0.44)
SCHEMBL27491980 0.59 ALDH1A1 (0.38) THRBTHRACNR2PLA2G2D
SCHEMBL2506385 0.59 PTPN1 (0.37) THRBTHRACNR2
SCHEMBL8930859 0.58 ALDH1A1 (0.40) THRBESR1THRACNR2PLA2G2D
SCHEMBL8930873 0.58 ALDH1A1 (0.40) THRBESR1THRACNR2PLA2G2D
SCHEMBL8930868 0.58 ALDH1A1 (0.40) THRBESR1THRACNR2PLA2G2D
SCHEMBL27509087 0.58 ALDH1A1 (0.40) THRBESR1THRACNR2PLA2G2D

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-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 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-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA THRB 439/4885ESR1 5/4885ESR2 2/4885

“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.