SCHEMBL29124285

SCHEMBL29124285

CCCCCCCCOC(=O)/C(C)=C\C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
HCAR2 Q8TDS4 3/20 0.54
NAAA Q02083 1/20 0.48
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
FAAH O00519 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CES2 O00748 1/20 0.43
PLA2G4A P47712 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL15610425 1.00 TSHR (0.58) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL5052459 1.00 TSHR (0.58) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL15610423 1.00 TSHR (0.58) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL27725776 1.00 TSHR (0.58) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL11741170 0.98 TSHR (0.55) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL11749762 0.98 TSHR (0.55) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL598745 0.93 ALDH1A1 (0.52) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL598743 0.93 ALDH1A1 (0.52) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL7767048 0.93 ALDH1A1 (0.52) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL8383264 0.86 TSHR (0.58) TSHRHCAR2NAAARAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368065-A1 CITRACONIC ACID AND DERIVATIVES THEREOF FOR USE AS A MEDICAMENT Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-11-07 US disclosed
EP-4326247-A1 CITRACONIC ACID AND DERIVATIVES THEREOF FOR USE AS A MEDICAMENT Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-02-28 EP disclosed
CN-117202901-A Use of citraconic acid and its derivatives as medicaments 亥姆霍兹感染研究中心有限公司 2023-12-08 CN disclosed
WO-2022223778-A1 CITRACONIC ACID AND DERIVATIVES THEREOF FOR USE AS A MEDICAMENT Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-10-27 WO disclosed
CN-112262189-B Surface conditioner for water-based coating, water-based coating composition, coating film, and multilayer coating film 楠本化成株式会社 2022-05-03 CN 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-20240368065-A1 CITRACONIC ACID AND DERIVATIVES THEREOF FOR USE AS A MEDICAMENT HCAR2, ECI1, CYP27A1 TSHR 4865/4885HCAR2 1/4885NAAA 1673/4885

“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.