SCHEMBL4793306

SCHEMBL4793306

O=C(O)C(=O)C=C(C(=O)O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
AKR1C1 Q04828 3/20 0.57
KMT2A Q03164 2/20 0.47
NFE2L2 Q16236 1/20 0.45
AKR1C2 P52895 2/20 0.44
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
DAO P14920 1/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTPN1 P18031 1/20 0.44
PTGS2 P35354 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL164580 0.84 AKR1C1 (0.59) CA12CA1CA2CA9AKR1C1
SCHEMBL165294 0.84 AKR1C1 (0.59) CA12CA1CA2CA9AKR1C1
SCHEMBL164579 0.84 AKR1C1 (0.59) CA12CA1CA2CA9AKR1C1
SCHEMBL4730610 0.82 NFE2L2 (0.61) CA12CA1CA2CA9AKR1C1
SCHEMBL27489619 0.82 NFE2L2 (0.61) CA12CA1CA2CA9AKR1C1
Hydrochloric Acid SCHEMBL3674640 0.82 AKR1C1 (0.57) CA12CA1CA2CA9AKR1C1
SCHEMBL8440602 0.80 AKR1C1 (0.55) CA12CA1CA2CA9AKR1C1
SCHEMBL7302500 0.80 AKR1C1 (0.55) CA12CA1CA2CA9AKR1C1
SCHEMBL9248787 0.80 AKR1C1 (0.55) CA12CA1CA2CA9AKR1C1
SCHEMBL9248773 0.80 AKR1C1 (0.55) CA12CA1CA2CA9AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20220228190-A1 MASSIVELY PARALLEL ON-CHIP CONSTRUCTION OF SYNTHETIC MICROBIAL COMMUNITIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-07-21 US disclosed
US-11060079-B2 Methods and microorganisms for producing flavors and fragrance chemicals ARDRA INC. (CA) 2021-07-13 US disclosed
US-20190177713-A1 METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS ARDRA INC. (CA) 2019-06-13 US disclosed
EP-1877567-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF MONATIN AND ITS PRECURSORS CARGILL, INCORPORATED (US) 2008-01-16 EP disclosed
WO-2006116487-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF MONATIN AND ITS PRECURSORS CARGILL, INCORPORATED (US) 2006-11-02 WO 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-12577526-B2 Massively parallel on-chip construction of synthetic microbial communities STUB1, SAMM50, CD14 CA12 4648/4885CA1 4816/4885CA2 4575/4885

“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.