SCHEMBL9986005

SCHEMBL9986005

CCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.93
CYP3A4 P08684 1/20 0.93
ATM Q13315 1/20 0.93
TDP1 Q9NUW8 1/20 0.93
LMNA P02545 2/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPT P10636 1/20 0.62
KDM4E B2RXH2 1/20 0.58
DUSP3 P51452 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
RECQL P46063 1/20 0.57
DGKA P23743 1/20 0.56
PRKCA P17252 3/20 0.55
PRKCE Q02156 1/20 0.55
PRKCQ Q04759 1/20 0.55
PRKCD Q05655 1/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54

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
SCHEMBL333274 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL333145 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL4887025 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL153398 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL4625908 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL11412640 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL3225069 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL55305 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL9229154 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA
SCHEMBL28217622 1.00 TSHR (0.93) TSHRCYP3A4ATMTDP1LMNA

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-9743663-B2 Pelargonic acid formulation Compo GmbH & Co., KG (DE) 2017-08-29 US disclosed
EP-2584894-B1 PELARGONIC ACID FORMULATION COMPO GMBH & CO KG (DE) 2016-06-01 EP disclosed
US-20130231247-A1 PELARGONIC ACID FORMULATION COMPO GMBH & CO. KG (DE) 2013-09-05 US disclosed
EP-2584894-A2 PELARGONIC ACID FORMULATION COMPO GmbH & Co.KG (DE) 2013-05-01 EP disclosed
WO-2011161133-A2 PELARGONIC ACID FORMULATION COMPO GMBH& CO. KG (DE) 2011-12-29 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-20130231247-A1 PELARGONIC ACID FORMULATION C9, PELP1, DAO TSHR 4275/4885CYP3A4 912/4885ATM 4720/4885

“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.