SCHEMBL3752202

SCHEMBL3752202

CC1=C(C)C(C)C(CCCCCN)=C1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH2 P25021 2/20 0.32
HRH4 Q9H3N8 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
SCHEMBL3405051 0.92
SCHEMBL5613588 0.82 PTGS2 (0.35) LMNATSHR
Hydrochloric Acid SCHEMBL31645727 0.81 CYP1A2 (0.33)
SCHEMBL3401498 0.78 LMNA (0.33) LMNA
SCHEMBL7648194 0.77 SKP2 (0.31)
SCHEMBL3405877 0.75
SCHEMBL4197781 0.72
SCHEMBL31646063 0.67
Hydrochloric Acid SCHEMBL3693819 0.58
SCHEMBL14718645 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865924-B2 Compounds for use as ligands UNIVERSITY OF LEEDS (GB) 2014-10-21 US claimed
US-8501829-B2 Compounds for use as ligands NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2013-08-06 US claimed
US-20100298457-A1 COMPOUNDS FOR USE AS LIGANDS NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2010-11-25 US claimed
US-9399211-B2 Microencapsulated catalyst-ligand system REAXA LIMITED (GB) 2016-07-26 US disclosed
US-20160030935-A1 MICROENCAPSULATED CATALYST-LIGAND SYSTEM REAXA LIMITED (GB) 2016-02-04 US disclosed
US-8865924-B2 Compounds for use as ligands UNIVERSITY OF LEEDS (GB) 2014-10-21 US disclosed
US-20130267725-A1 COMPOUNDS FOR USE AS LIGANDS UNIVERSITY OF LEEDS (GB) 2013-10-10 US disclosed
US-8501829-B2 Compounds for use as ligands NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2013-08-06 US disclosed
US-20100298457-A1 COMPOUNDS FOR USE AS LIGANDS NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2010-11-25 US disclosed
US-20090221419-A1 Microencapsulated Catalyst-Ligand System REAXA LIMITED (GB) 2009-09-03 US disclosed
EP-1993721-A1 MICROENCAPSULATED CATALYST-LIGAND SYSTEM Reaxa Limited (GB) 2008-11-26 EP disclosed
WO-2007096592-A1 MICROENCAPSULATED CATALYST-LIGAND SYSTEM REAXA LIMITED (GB) 2007-08-30 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-20100298457-A1 COMPOUNDS FOR USE AS LIGANDS SELL, SELE, NCL HRH1 2623/4885CA12 178/4885CA1 738/4885

“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.