SCHEMBL3743077

SCHEMBL3743077

CCc1[nH]c2ccccc2c1CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 2/20 0.67
GAA P10253 2/20 0.67
MAPT P10636 2/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
EGFR P00533 5/20 0.60
PLA2G2A P14555 1/20 0.47
SRC P12931 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Hydrochloric Acid SCHEMBL28521562 0.98 KDM4E (0.65) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL10685190 0.89 KDM4E (0.64) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL28516422 0.87 KDM4E (0.66) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL2403602 0.85 KDM4E (0.64) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL2404387 0.84 KDM4E (0.62) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL2460856 0.84 KDM4E (0.62) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL2389653 0.84 KDM4E (0.62) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL17102841 0.84 KDM4E (0.58) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL28786423 0.84 OXER1 (0.60) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL28518839 0.83 EGFR (0.66) KDM4EALDH1A1GAAMAPTCASP1

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
US-20210348139-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-11-11 US disclosed
CN-107698658-B Bis [3- (acetyl-Lys-AA-OBzl) -indol-2-yl ] ethane, preparation, activity and application thereof 首都医科大学 2021-02-12 CN disclosed
US-20200123512-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-04-23 US disclosed
US-10544402-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS INC. (US) 2020-01-28 US disclosed
EP-2828385-B1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS CODEXIS INC (US) 2018-02-07 EP disclosed
US-20170283781-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-10-05 US disclosed
US-9708588-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2017-07-18 US disclosed
US-20160289649-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-10-06 US disclosed
US-9388395-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2016-07-12 US disclosed
US-20150344854-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-12-03 US disclosed
EP-2657705-A2 Biomarkers for prostate cancer and methods using the same Metabolon Inc. (US) 2013-10-30 EP disclosed
WO-2013142770-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS CODEXIS, INC. (US) 2013-09-26 WO disclosed
US-8518650-B2 Biomarkers for prostate cancer and methods using the same METABOLON, INC. (US) 2013-08-27 US disclosed
EP-2560006-A2 Biomarkers for prostate cancer and methods using the same Metabolon Inc. (US) 2013-02-20 EP disclosed
EP-2061899-B1 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME METABOLON INC (US) 2012-08-29 EP disclosed
US-20100292331-A1 Biomarkers for Prostate Cancer and Methods Using the Same METABALON, INC. (US) 2010-11-18 US disclosed
US-20070298998-A1 Biomarkers for amyotrophic lateral sclerosis and methods using the same METABOLON, INC. (US) 2007-12-27 US disclosed
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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 (1 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK KDM4E 2972/4885ALDH1A1 2042/4885GAA 4704/4885

“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.