SCHEMBL5215355

SCHEMBL5215355

CCC(C(=O)c1ccc(OC)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
KLK7 P49862 4/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
MITF O75030 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL7560417 0.82 L3MBTL1 (0.66) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL2290396 0.82 ALDH1A1 (0.60) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL5217775 0.82 GSK3B (0.56) MEN1KMT2ACES2CES1ALDH1A1
SCHEMBL5114421 0.80 LMNA (0.69) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL6504793 0.78 ACP3 (0.61) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL2922278 0.77 L3MBTL1 (0.69) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL5217880 0.76 MAPT (0.63) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL2921669 0.76 L3MBTL1 (0.66) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL23295612 0.75 HDAC3 (0.50) CES2CES1ALDH1A1L3MBTL1CYP1A2
SCHEMBL5217789 0.75 MDM2 (0.69) MAPTPOLBNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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 (3 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 MAPT 1269/4885POLB 4181/4885NPC1 954/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 MAPT 1269/4885POLB 4181/4885NPC1 954/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 MAPT 1269/4885POLB 4181/4885NPC1 954/4885

“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.