SCHEMBL73802

SCHEMBL73802

CC(C)(C)Cc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
ALOX15 P16050 5/20 0.55
LMNA P02545 4/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP2C9 P11712 2/20 0.55
NR1I2 O75469 1/20 0.55
MIF P14174 1/20 0.55
TYR P14679 1/20 0.55
HTT P42858 1/20 0.55
NFE2L2 Q16236 1/20 0.55
ESR1 P03372 1/20 0.52
CYP1A2 P05177 5/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ATP2A2 P16615 1/20 0.48
ATP2A3 Q93084 1/20 0.48
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TSHR P16473 4/20 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
SCHEMBL29544218 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL18701032 0.84 ESR1 (0.52) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL2919862 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL7199857 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL31146612 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL29836278 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL26934156 0.83 ALDH1A1 (0.66) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL13274215 0.83 ALDH1A1 (0.50) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL5036835 0.82 CNR1 (0.60) ALDH1A1ALOX15LMNAHSD17B10CYP2C9
SCHEMBL29511377 0.82 CNR1 (0.60) ALDH1A1ALOX15LMNAHSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10314802-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2019-06-11 US disclosed
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 US disclosed
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 US disclosed
US-9744147-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2017-08-29 US disclosed
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof SIGNUM DERMALOGIX, INC. 2016-12-15 US disclosed
US-9493505-B2 Macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS, INC. (US) 2016-11-15 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-20100184768-A1 Isoprenyl Compounds and Methods Thereof SIGNUM BIOSCIENCES, INC. (US) 2010-07-22 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-09-03 US disclosed
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-08-06 US disclosed
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC. 2009-07-02 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
US-7491695-B2 Therapy for endocrime disorders; gastrointestinal disorders; cardiovascular disorders; obesity; central nervous system disorders; antiproliferative agents ; using growth hormone secretagogue receptor TRANZYME PHARMA INC. (CA) 2009-02-17 US disclosed
US-7476653-B2 Using growth hormone secretagague receptors; endocrime disorders; gastrointestinal disorders; cardiovascular disorders; central nervous system disorders; antiproliferative agents; antiinflammatory agents TRANZYME PHARMA, INC. (CA) 2009-01-13 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 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 (12 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 ALDH1A1 2745/4885ALOX15 4080/4885LMNA 3835/4885
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR ALDH1A1 3993/4885ALOX15 1448/4885LMNA 3873/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 ALDH1A1 2978/4885ALOX15 3982/4885LMNA 3732/4885
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR ALDH1A1 3993/4885ALOX15 1448/4885LMNA 3873/4885
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR ALDH1A1 3842/4885ALOX15 994/4885LMNA 3697/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 ALDH1A1 2745/4885ALOX15 4080/4885LMNA 3835/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 ALDH1A1 2729/4885ALOX15 4073/4885LMNA 3791/4885
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof ALOX15B, ALOX15, ALOX5 ALDH1A1 882/4885ALOX15 2/4885LMNA 1149/4885
US-20100184768-A1 Isoprenyl Compounds and Methods Thereof ALOX15B, ALOX15, ALOX5 ALDH1A1 882/4885ALOX15 2/4885LMNA 1149/4885
US-10314802-B2 Isoprenyl compounds and methods thereof ALOX15B, ALOX15, ALOX5 ALDH1A1 882/4885ALOX15 2/4885LMNA 1149/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR ALDH1A1 3993/4885ALOX15 1448/4885LMNA 3873/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR ALDH1A1 3842/4885ALOX15 994/4885LMNA 3697/4885

“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.