SCHEMBL5813282

SCHEMBL5813282

CC(=O)OC(=O)CCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
PAOX Q6QHF9 4/20 0.44
TSHR P16473 4/20 0.44
THRB P10828 3/20 0.44
LMNA P02545 3/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
HDAC3 O15379 1/20 0.44
GABBR2 O75899 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRR2 P28476 1/20 0.44
SLC6A1 P30531 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
SCHEMBL17433647 0.98 CYP1A2 (0.54) CYP1A2PAOXTSHRTHRBLMNA
SCHEMBL12538257 0.98 CYP1A2 (0.54) CYP1A2PAOXTSHRTHRBLMNA
SCHEMBL284862 0.91 PAOX (0.58) CYP1A2PAOXTSHRTHRBLMNA
SCHEMBL19816433 0.91 PAOX (0.58) CYP1A2PAOXTSHRTHRBLMNA
SCHEMBL9170595 0.91 PAOX (0.58) CYP1A2PAOXTSHRTHRBLMNA
SCHEMBL5433574 0.85
SCHEMBL4759428 0.85 TSHR (0.52) CYP1A2TSHRLMNAALDH1A1PTGS1
SCHEMBL614868 0.85 TSHR (0.50) CYP1A2TSHRLMNAALDH1A1RECQL
SCHEMBL20010546 0.85 CYP1A2 (0.58) CYP1A2PAOXTSHRTHRBLMNA
Hexadecylamine SCHEMBL28285653 0.84 PAOX (0.50) CYP1A2PAOXTSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP claimed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US claimed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 WO claimed
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 US disclosed
US-20240141397-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BIOSYNTHESIZED TARGET PRODUCTS HAVING REDUCED LEVELS OF BYPRODUCTS AGAIN BIO APS (DK) 2024-05-02 US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 WO disclosed
US-10490748-B2 Rectifying element, method for producing same, and wireless communication device TORAY INDUSTRIES, INC. (JP) 2019-11-26 US disclosed
US-20190300918-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BIOSYNTHESIZED TARGET PRODUCTS HAVING REDUCED LEVELS OF BYPRODUCTS AGAIN BIO APS (DK) 2019-10-03 US disclosed
EP-3314002-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BIOSYNTHESIZED TARGET PRODUCTS HAVING REDUCED LEVELS OF BYPRODUCTS Genomatica, Inc. (US) 2018-05-02 EP disclosed
WO-2016209883-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BIOSYNTHESIZED TARGET PRODUCTS HAVING REDUCED LEVELS OF BYPRODUCTS GENOMATICA, INC. (US) 2016-12-29 WO disclosed
US-20160035457-A1 FIELD EFFECT TRANSISTOR TORAY INDUSTRIES, INC. (JP) 2016-02-04 US disclosed
EP-2975649-A1 FIELD EFFECT TRANSISTOR Toray Industries, Inc. (JP) 2016-01-20 EP disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
CN-1510030-A Preparations of 3-(methylthio) propylaldehyde and 2-hydroxy-4-(methylthio) propyl cyanides 诺沃斯国际公司 2004-07-07 CN disclosed
US-20030139361-A1 Drug for gene therapy HISAMITSU PHARMACEUTICAL CO., LTD (JP) 2003-07-24 US disclosed
EP-1252897-A1 DRUGS FOR GENE THERAPY HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2002-10-30 EP disclosed
CN-1092184-C Process for preparing 3- (methylthio) propanal NOVAS INTERNAT INC (US) 2002-10-09 CN disclosed
EP-0428000-A1 Fluorogenic substrates for the detection of proteolytic enzyme activity ABBOTT LABORATORIES (US) 1991-05-22 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 (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-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 CYP1A2 3706/4885PAOX 2772/4885TSHR 2775/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 CYP1A2 3706/4885PAOX 2772/4885TSHR 2775/4885

“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.