SCHEMBL5835231

SCHEMBL5835231

Cc1cccc(OCCC(C)(C)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
DRD3 P35462 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 2/20 0.47
F2 P00734 1/20 0.47
RAB9A P51151 1/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL30549088 0.86 DRD2 (0.53) FDPSDRD2DRD4L3MBTL1TDP1
SCHEMBL15085789 0.86 DRD2 (0.53) FDPSDRD2DRD4L3MBTL1TDP1
SCHEMBL13097103 0.84 CHRNB2 (0.60) DRD2DRD4DRD3
SCHEMBL17277531 0.83 DRD2 (0.50) FDPSDRD2DRD4L3MBTL1TDP1
SCHEMBL6240987 0.83 MAPK1 (0.54) L3MBTL1TDP1KDM4EKMT2AHSD17B10
SCHEMBL15782887 0.82 ACHE (0.48) FDPSDRD2DRD4L3MBTL1TDP1
SCHEMBL21577415 0.82 TP53 (0.45) SMN1; SMN2KDM4EKMT2ARAB9AHSD17B10
SCHEMBL13349896 0.81 PLA2G4B (0.49)
SCHEMBL4849414 0.81 KDM4E (0.52) L3MBTL1POLBKDM4EKMT2ARAB9A
SCHEMBL13450153 0.81 CYP2D6 (0.50) FDPSDRD2DRD4L3MBTL1TDP1

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
US-9597310-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-9597310-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
EP-2928886-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2016-11-02 EP disclosed
US-20160235706-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-18 US disclosed
US-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 US disclosed
US-7101878-B1 Non-peptide GNRH agents, methods and intermediates for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2006-09-05 US disclosed
EP-1105120-B1 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMA (US) 2005-03-23 EP disclosed
CN-1379666-A Non-peptide GnRH agents, methods and intermediates for their preparation AGOURON PHARMA (US) 2002-11-13 CN disclosed
EP-1105120-A4 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMA (US) 2001-12-19 EP disclosed
EP-1105120-A2 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 2001-06-13 EP disclosed
WO-2000020358-A2 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 2000-04-13 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-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 FDPS 1463/4885DRD2 799/4885DRD4 1263/4885
US-20160235706-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 FDPS 1463/4885DRD2 799/4885DRD4 1263/4885

“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.