SCHEMBL2834017

SCHEMBL2834017

CCCOC1(CC(N)=O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 3/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A5 Q9Y345 2/20 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
SCHEMBL28954129 0.85 LMNA (0.33) TSHRLMNAUSP2ALDH1A1CYP1A2
SCHEMBL19937052 0.80 TSHR (0.30) TSHR
SCHEMBL24993020 0.72 TSHR (0.33) TSHR
SCHEMBL25880206 0.71 LMNA (0.31) LMNAUSP2ALDH1A1CYP1A2BLM
SCHEMBL21160683 0.70 TSHR (0.32) TSHR
SCHEMBL24780994 0.68 TSHR (0.35) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL18403589 0.68 TSHR (0.30) TSHR
SCHEMBL27289579 0.68
SCHEMBL14494687 0.67 LMNA (0.45) TSHRLMNAUSP2ALDH1A1CYP1A2
SCHEMBL17683993 0.67 TSHR (0.39) TSHRMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160606-A2 TACE INHIBITORS IN THE TREATMENT OF ACNE Galderma Research & Development (FR) 2010-03-10 EP claimed
WO-2009004247-A2 TACE INHIBITORS IN THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 WO claimed
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 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-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE MMP17, MMP25, TIMP3 TSHR 1655/4885MEN1 4016/4885KMT2A 4104/4885

“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.