SCHEMBL17464872

SCHEMBL17464872

CCC(O)C(CCO)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
ALOX15 P16050 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
SCHEMBL2024839 0.81 LMNA (0.44) LMNATSHR
SCHEMBL15907701 0.81 TSHR (0.39) LMNATSHRALDH1A1MAPK1ALOX15
SCHEMBL19180080 0.80 LMNA (0.48) LMNATSHR
SCHEMBL19492877 0.78 LMNA (0.52) LMNATSHRALDH1A1
SCHEMBL28745209 0.78 ALDH1A1 (0.35) TSHRALDH1A1MAPK1ALOX15
SCHEMBL15065475 0.75 TSHR (0.36) TSHRALDH1A1MAPK1ALOX15
SCHEMBL17464898 0.73 LMNA (0.41) LMNATSHR
SCHEMBL25234047 0.71 LMNA (0.45) LMNATSHR
SCHEMBL4890864 0.71 LMNA (0.40) LMNAALDH1A1
SCHEMBL561352 0.70 LMNA (0.54) LMNATSHR

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
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 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 (2 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 LMNA 3635/4885TSHR 737/4885ALDH1A1 2515/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 LMNA 3635/4885TSHR 737/4885ALDH1A1 2515/4885

“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.