SCHEMBL5725836

SCHEMBL5725836

CN(C)CCOc1ccc(C(O)(c2ccc(Cl)cc2)C(CCO)c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.48
▸ CYP2C19 P33261 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ ESRRG P62508 1/20 0.45
▸ FDPS P14324 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ EBP Q15125 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ SLC6A4 P31645 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40

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
SCHEMBL5728005 0.94 ESRRG (0.50) HRH3CYP2C19CYP1A2CYP3A4BLM
SCHEMBL1152700 0.87 KDM4E (0.55) HRH3CYP1A2CYP3A4ESRRGKDM4E
SCHEMBL10818771 0.87 KDM4E (0.55) HRH3CYP1A2CYP3A4ESRRGKDM4E
SCHEMBL9096804 0.84 LTA4H (0.48) ESRRGKDM4EPOLBBCL2LTA4H
SCHEMBL5726548 0.83 ESRRG (0.50) HRH3CYP1A2CYP3A4ESRRGKDM4E
SCHEMBL5725326 0.82 KDM4E (0.46) HRH3CYP2C19CYP1A2CYP3A4BLM
SCHEMBL5726295 0.80 TSHR (0.42) HRH3ESRRGKDM4EPOLBMEN1
SCHEMBL5726076 0.77 CHRM3 (0.40) POLBMEN1KMT2ALTA4H
SCHEMBL10828036 0.77 ESR1 (0.47) HRH3CYP3A4ESRRGKDM4EPOLB
SCHEMBL2522577 0.76 HRH3 (0.59) HRH3CYP2C19CYP1A2CYP3A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1705169-A2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators Hormos Medical Ltd. (FI) 2006-09-27 — — EP disclosed
EP-1235776-B1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS HORMOS MEDICAL CORP (FI) 2006-02-08 — — EP disclosed
US-6875775-B2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD (FI) 2005-04-05 — — US disclosed
US-20030225130-A1 Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD. 2003-12-04 — — US disclosed
US-6576645-B1 Such as 3-(4-chloro-1-(4-(2-(2-hydroxyethoxy)ethoxy)phenyl)--2-phenylbut-1 -enyl)phenol; producing tissue specific estro-genic and/or antiestrogenic effect HORMOS MEDICAL OY LTD (FI) 2003-06-10 — — 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-20030225130-A1 Triphenylalkene derivatives and their use as selective estrogen receptor modulators ESR2, ESR1, GPER1 HRH3 60/4885CYP2C19 280/4885CYP1A2 178/4885

“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.

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