SCHEMBL1506576

SCHEMBL1506576

COc1ccc(C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
DRD2 P14416 1/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE10A Q9Y233 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP13 P45452 1/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL14403053 0.86 ESR2 (0.42) POLBKDM4ESLC6A4SLC6A3
SCHEMBL22816251 0.82 ACACB (0.36) POLBALDH1A1PDE10AHPGD
SCHEMBL2916071 0.81 HTR2C (0.57) DRD2ALDH1A1CYP3A4CYP2C19KDM1A
SCHEMBL14117575 0.81 ESR2 (0.41) ALDH1A1CYP3A4MAPK1CYP2C19PDE10A
SCHEMBL8466333 0.80 MMP1 (0.43) KMT2AMEN1MMP1MMP2KDM1A
SCHEMBL22047879 0.80 NR3C1 (0.47) ALDH1A1
SCHEMBL5211872 0.79 DRD2 (0.50) DRD2KMT2AALDH1A1MEN1MAPK1
SCHEMBL1515026 0.78 DRD2 (0.59) DRD2KMT2AALDH1A1MEN1MAPK1
SCHEMBL21964256 0.77 DRD2 (0.49) DRD2KMT2AALDH1A1MEN1MAPK1
SCHEMBL7292956 0.77 ESR2 (0.37) KDM1AMAOAMAOBSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
WO-2018170165-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (2 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP POLB 460/4885DRD2 4782/4885KMT2A 3921/4885
US-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 POLB 4062/4885DRD2 4732/4885KMT2A 4719/4885

“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.