SCHEMBL8095513

SCHEMBL8095513

CC(C)(O)CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RECQL P46063 1/20 0.54
PPARA Q07869 2/20 0.51
HTR1B P28222 2/20 0.48
HTR1D P28221 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LTA4H P09960 1/20 0.47
FDPS P14324 3/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
PKM P14618 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6255661 0.89 HRH3 (0.49) ALDH1A1PPARALTA4HL3MBTL1MAPT
SCHEMBL1754085 0.83 KCNA3 (0.58) KCNA3ALDH1A1RECQLPPARAHTR1B
SCHEMBL13097100 0.82 MAOB (0.59) ALDH1A1PKM
SCHEMBL9935752 0.82 LTA4H (0.53) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15782889 0.82 L3MBTL1 (0.52) PPARAL3MBTL1
SCHEMBL11111304 0.81 TAAR1 (0.52) KCNA3ALDH1A1RECQLPPARAHTR1B
SCHEMBL13097103 0.81 CHRNB2 (0.60) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL18034737 0.80 TDP1 (0.52) ALDH1A1LTA4HL3MBTL1MAPTRAB9A
SCHEMBL9935748 0.80 HRH3 (0.43) PPARAFDPSL3MBTL1MAPT
SCHEMBL15153475 0.80 HRH3 (0.40) ALDH1A1RECQLPPARAFDPSL3MBTL1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014086712-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 WO disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
EP-0740665-B1 PROCESS FOR PREPARING 4,4-DIALKYL-6-HALO-CHROMANS OR THIOCHROMANS USEFUL AS PHARMACEUTICAL INTERMEDIATES ALLERGAN SALES INC (US) 2000-12-06 EP disclosed
EP-0740665-A1 PROCESS FOR PREPARING 4,4-DIALKYL-6-HALO-CHROMANS OR THIOCHROMANS USEFUL AS PHARMACEUTICAL INTERMEDIATES Allergan (US) 1996-11-06 EP disclosed
US-5519150-A Process for preparing 4,4-dialkyl-6-halo-chromans or thiochromans useful as pharmaceutical intermediates ALLERGAN (US) 1996-05-21 US disclosed
WO-1995019973-A2 PROCESS FOR PREPARING 4,4-DIALKYL-6-HALO-CHROMANS OR THIOCHROMANS USEFUL AS PHARMACEUTICAL INTERMEDIATES ALLERGAN (US) 1995-07-27 WO disclosed
US-5420295-A Process for preparing 4,4-dialkyl-6-halo-chromans or thiochromans useful as pharmaceutical intermediates ALLERGAN, INC. (US) 1995-05-30 US disclosed
US-4977276-A ANTITUMOR AGENTS, SKIN DISORDERS THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIV. (US) 1990-12-11 US disclosed
US-4833254-A CHROMANYL, THIOCHROMANYL DERIVATIVES THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1989-05-23 US disclosed
US-4826984-A Heteroarotinoid compounds as anticancer agents THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGE ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1989-05-02 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 (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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 KCNA3 1899/4885ALDH1A1 1814/4885RECQL 3830/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC KCNA3 1473/4885ALDH1A1 412/4885RECQL 442/4885

“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.