SCHEMBL5724876

SCHEMBL5724876

CN(C)CCNc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 6/20 0.51
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.49
ABCC9 O60706 2/20 0.49
ABCC8 Q09428 2/20 0.49
KCNJ11 Q14654 2/20 0.49
PDK1 Q15118 2/20 0.49
PDK2 Q15119 2/20 0.49
PDK3 Q15120 2/20 0.49
KCNJ8 Q15842 2/20 0.49
PDK4 Q16654 2/20 0.49

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
SCHEMBL4135587 0.85 LMNA (0.51) ALDH1A1RAB9ALMNATDP1CYP1A2
Hydrochloric Acid SCHEMBL5071263 0.83 LMNA (0.52) ALDH1A1RAB9ALMNATDP1CYP1A2
SCHEMBL3689477 0.81 LMNA (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL171395 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2AHTR2A
SCHEMBL64206 0.79 POLB (0.64) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL3307413 0.79 ALDH1A1 (0.63) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3682133 0.79 BCHE (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3682132 0.79 MAPT (0.59) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL30383292 0.79 BCHE (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3684640 0.79 MAPT (0.59) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100441556-C Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL LTD (FI) 2008-12-10 CN disclosed
CN-1861555-A Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL LTD (FI) 2006-11-15 CN disclosed
EP-1705169-A2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators Hormos Medical Ltd. (FI) 2006-09-27 EP disclosed
CN-1263720-C Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD (FI) 2006-07-12 CN 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
CN-1399622-A Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD (FI) 2003-02-26 CN disclosed
EP-1235776-A1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Hormos Medical Corporation (FI) 2002-09-04 EP disclosed
WO-2001036360-A1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS HORMOS MEDICAL CORPORATION (FI) 2001-05-25 WO 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 ALDH1A1 2679/4885MAPK13 2532/4885MAPK12 1998/4885

“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.