SCHEMBL454524

SCHEMBL454524

O=C(O)C=CC=C(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
TP53 P04637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALOX15 P16050 2/20 0.42
RECQL P46063 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PTGS1 P23219 1/20 0.36
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GABRR1 P24046 2/20 0.32
GABRR2 P28476 2/20 0.32
BLM P54132 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL454525 1.00 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL19379407 1.00 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL940895 0.85 TSHR (0.43) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL2928506 0.78 PTGS1 (0.43) TSHRALDH1A1TDP1ALOX15RECQL
SCHEMBL2928510 0.78 PTGS1 (0.43) TSHRALDH1A1TDP1ALOX15RECQL
SCHEMBL2931476 0.78 PTGS1 (0.43) TSHRALDH1A1TDP1ALOX15RECQL
SCHEMBL529628 0.77 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL529630 0.77 TSHR (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL12486634 0.74 LMNA (0.35) PTGS1LMNA
SCHEMBL12486635 0.74 LMNA (0.35) PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355843-A1 METHODS FOR BIOSYNTHESIZING 1,3 BUTADIENE INVISTA NORTH AMERICA S.A.R.L. (US) 2016-12-08 US claimed
US-20160355844-A1 METHODS FOR BIOSYNTHESIZING 1,3 BUTADIENE INVISTA NORTH AMERICA S.A.R.L. (US) 2016-12-08 US claimed
CN-104769119-A Methods for biosynthesizing 1,3 butadiene INVISTA TECH SARL 2015-07-08 CN claimed
EP-2861745-A2 METHODS FOR BIOSYNTHESIZING 1,3 BUTADIENE Invista Technologies S.à.r.l. (CH) 2015-04-22 EP claimed
CN-104321434-A Methods for biosynthesizing 1,3butadiene INVISTA TECH SARL 2015-01-28 CN claimed
EP-2785848-A2 METHODS FOR BIOSYNTHESIZING 1,3BUTADIENE INVISTA Technologies S.à.r.l. (CH) 2014-10-08 EP claimed
WO-2013188546-A2 METHODS FOR BIOSYNTHESIZING 1,3 BUTADIENE INVISTA TECHNOLOGIES S.À.R.L. (CH) 2013-12-19 WO claimed
WO-2013082542-A2 METHODS FOR BIOSYNTHESIZING 1,3BUTADIENE INVISTA NORTH AMERICA S.A.R.L. (US) 2013-06-06 WO claimed
US-12606808-B2 Mirror nucleic acid replication system TSINGHUA UNIVERSITY (CN) 2026-04-21 US disclosed
US-12577526-B2 Massively parallel on-chip construction of synthetic microbial communities THE BROAD INSTITUTE, INC. (US) 2026-03-17 US disclosed
US-20250376656-A1 MASSIVELY PARALLEL ON-CHIP CONSTRUCTION OF SYNTHETIC MICROBIAL COMMUNITIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-12-11 US disclosed
US-12325884-B2 Riboswitch-based fluoride sensing in cell-free extract NORTHWESTERN UNIVERSITY (US) 2025-06-10 US disclosed
CN-119365507-A Polyurethane foam 井上株式会社 2025-01-24 CN disclosed
CN-119256030-A Polyurethane foam 井上株式会社 2025-01-03 CN disclosed
WO-2002094867-A2 SEQUENCE OF THE PHOTORHABDUS LUMINESCENS STRAIN TT01 GENOME AND USES INSTITUT PASTEUR (FR) 2002-11-28 WO disclosed
WO-2002092800-A2 CRYSTAL STRUCTURE OF 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE MAX-PLANCK-GESELLSCHAFT (DE) 2002-11-21 WO disclosed
EP-0390102-A2 Process for the preparation of pyridine-2,3-dicarboxylic acids CELGENE CORPORATION (US) 1990-10-03 EP disclosed
US-4654303-A Construction of novel mutant microorganisms CELANESE CORPORATION (US) 1987-03-31 US disclosed
EP-0138391-A1 Construction of novel mutant micro-organisms CELGENE CORPORATION (US) 1985-04-24 EP disclosed
US-4173692-A ORGANIC ALKALI METAL SALT AND ORGANOTIN COMPOUND AS CATALYST M&T CHEMICALS INC. (US) 1979-11-06 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-12606808-B2 Mirror nucleic acid replication system NOP2, NSUN3, MED23 TSHR 1965/4885TP53 1377/4885EGLN1 4848/4885
US-12577526-B2 Massively parallel on-chip construction of synthetic microbial communities STUB1, SAMM50, CD14 TSHR 1704/4885TP53 2128/4885EGLN1 4356/4885

“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.