SCHEMBL73829

SCHEMBL73829

CCCCc1cc(C)ccc1OCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 6/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 2/20 0.51
THRB P10828 2/20 0.51
POLB P06746 3/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MAPK1 P28482 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 3/20 0.46
RAD52 P43351 2/20 0.46
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
APAF1 O14727 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL15033259 0.94 MAPT (0.52) MAPTALDH1A1NPSR1GAATHRB
SCHEMBL2150637 0.88 MAPT (0.51) MAPTALDH1A1NPSR1GAATHRB
SCHEMBL11993647 0.86 PTGER1 (0.42) MAPTALDH1A1NPSR1GAATHRB
Phosphoric Acid SCHEMBL10622150 0.85 MAPT (0.49) MAPTALDH1A1NPSR1GAATHRB
SCHEMBL11215013 0.84 MAPT (0.61) MAPTALDH1A1NPSR1GAATHRB
SCHEMBL12634447 0.83 KCNH2 (0.44) MAPTNPSR1THRBMAPK1MEN1
SCHEMBL14607916 0.82 MAPT (0.55) MAPTALDH1A1NPSR1GAATHRB
SCHEMBL14254191 0.82 ALDH1A1 (0.45) MAPTALDH1A1NPSR1GAATHRB
SCHEMBL4019008 0.80 HTT (0.62) MAPTALDH1A1NPSR1THRBPOLB
SCHEMBL13552197 0.80 PPARD (0.45) MAPTALDH1A1NPSR1THRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 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 (9 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-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 MAPT 2759/4885ALDH1A1 2745/4885NPSR1 82/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 MAPT 3219/4885ALDH1A1 2978/4885NPSR1 84/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 MAPT 3219/4885ALDH1A1 2978/4885NPSR1 84/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 MAPT 3219/4885ALDH1A1 2978/4885NPSR1 84/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 MAPT 2759/4885ALDH1A1 2745/4885NPSR1 82/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 MAPT 3219/4885ALDH1A1 2978/4885NPSR1 84/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 MAPT 2732/4885ALDH1A1 2729/4885NPSR1 83/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR MAPT 3324/4885ALDH1A1 3005/4885NPSR1 87/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 MAPT 3219/4885ALDH1A1 2978/4885NPSR1 84/4885

“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.