SCHEMBL3401498

SCHEMBL3401498

CC1=C(C)C(C)C(CCCCO)=C1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPK1 P28482 1/20 0.33
AVPR2 P30518 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
HTT P42858 1/20 0.33
PDE3A Q14432 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SLC29A1 Q99808 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL3405877 0.94
SCHEMBL5613588 0.79 PTGS2 (0.35) LMNACYP3A4MAPTTDP1
SCHEMBL7648194 0.78 SKP2 (0.31)
SCHEMBL4663340 0.78 SKP2 (0.31)
SCHEMBL3752202 0.78 HRH1 (0.34) LMNA
SCHEMBL13049891 0.73 LMNA (0.42) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL4197781 0.73
Hydrochloric Acid SCHEMBL20583808 0.72 NOS3 (0.34)
SCHEMBL3757885 0.71 FAAH (0.40) LMNAPGRCYP3A4MAPTCYP2C9
SCHEMBL20583809 0.71 CHRM1 (0.35) HTT

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 16 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-20130267725-A1 COMPOUNDS FOR USE AS LIGANDS UNIVERSITY OF LEEDS (GB) 2013-10-10 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
EP-2252622-A2 COMPOUNDS FOR USE AS LIGANDS NPIL Pharmaceuticals (UK) Limited (GB) 2010-11-24 EP claimed
WO-2009093059-A2 COMPOUNDS FOR USE AS LIGANDS NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2009-07-30 WO 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
EP-2252622-B1 COMPOUNDS FOR USE AS LIGANDS UNIV LEEDS (GB) 2015-04-08 EP 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
EP-2252622-A2 COMPOUNDS FOR USE AS LIGANDS NPIL Pharmaceuticals (UK) Limited (GB) 2010-11-24 EP disclosed
US-20090221419-A1 Microencapsulated Catalyst-Ligand System REAXA LIMITED (GB) 2009-09-03 US disclosed
WO-2009093059-A2 COMPOUNDS FOR USE AS LIGANDS NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2009-07-30 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 LMNA 4498/4885PGR 1485/4885CYP3A4 454/4885

“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.