SCHEMBL24252058

SCHEMBL24252058

FCCCCC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
CYP1A2 P05177 1/20 0.50
EPHX1 P07099 1/20 0.36
KDM5A P29375 3/20 0.35
PHF8 Q9UPP1 3/20 0.35
KDM2A Q9Y2K7 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.34
RAD52 P43351 1/20 0.34
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL11180181 0.97 SIGMAR1 (0.62) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL19478721 0.97 SIGMAR1 (0.62) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL9242693 0.95 SIGMAR1 (0.67) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL11489807 0.94
SCHEMBL22510552 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL22700174 0.89 SIGMAR1 (0.58) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL25020596 0.89 SIGMAR1 (0.58) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL324846 0.85 SIGMAR1 (0.65) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL10643742 0.82 SIGMAR1 (0.62) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL9190697 0.82 SIGMAR1 (0.70) SIGMAR1CYP1A2EPHX1KDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135501-A1 MONO-SUBSTITUTED CYCLOPENTADIENES AND METAL CYCLOPENTADIENYL COMPLEXES AND SYNTHESIS METHODS THEREOF LARI LIQUIDE SOC ANOYME POUR IETUDE ET IEXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2022-05-05 US disclosed
US-20220048837-A1 MONO-SUBSTITUTED CYCLOPENTADIENES AND METAL CYCLOPENTADIENYL COMPLEXES AND SYNTHESIS METHODS THEREOF L'Air Liquide, Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2022-02-17 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-20220135501-A1 MONO-SUBSTITUTED CYCLOPENTADIENES AND METAL CYCLOPENTADIENYL COMPLEXES AND SYNTHESIS METHODS THEREOF NR1H4, NR1H3, NR1H2 SIGMAR1 657/4885CYP1A2 824/4885EPHX1 3742/4885
US-20220048837-A1 MONO-SUBSTITUTED CYCLOPENTADIENES AND METAL CYCLOPENTADIENYL COMPLEXES AND SYNTHESIS METHODS THEREOF SOD1, SOD3, CAD SIGMAR1 3119/4885CYP1A2 145/4885EPHX1 3799/4885

“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.