SCHEMBL23295261

SCHEMBL23295261

c1cnc(SC2CCCCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP11B2 P19099 1/20 0.35
LMNA P02545 2/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
VCP P55072 6/20 0.33
TSHR P16473 1/20 0.33
ICAM1 P05362 1/20 0.32
PTGIR P43119 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL29586994 0.80 LMNA (0.36) LMNA
SCHEMBL28455598 0.73 EHMT2 (0.48) PDGFRBPDGFRAMAPTALDH1A1MAOA
SCHEMBL12949631 0.73 EHMT2 (0.48) PDGFRBPDGFRAMAPTALDH1A1MAOA
SCHEMBL15271760 0.73 EHMT2 (0.48) PDGFRBPDGFRAMAPTALDH1A1MAOA
SCHEMBL9175317 0.73 CNR1 (0.39) MAPTALDH1A1LMNATSHR
SCHEMBL28283901 0.73 NPC1 (0.44) MAPTALDH1A1LMNATSHR
SCHEMBL15271518 0.71 EHMT2 (0.50) PDGFRBPDGFRAMAPTALDH1A1TSHR
SCHEMBL10834649 0.68 MAOA (0.47) PDGFRBPDGFRAALDH1A1MAOAMAOB
SCHEMBL12949394 0.67 KDM4E (0.42) PDGFRBPDGFRAMAPTALDH1A1MAOA
SCHEMBL11546966 0.67 PDGFRB (0.38) PDGFRBPDGFRAALDH1A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 US disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 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 (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-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION AOX1, TYR, CXXC4 PDGFRB 4527/4885PDGFRA 4006/4885MAPT 1811/4885

“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.