SCHEMBL18503897

SCHEMBL18503897

CCC(C)(C)C(=O)OCC(C)[C@@H]1CC=C(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 2/20 0.33
RIPK1 Q13546 2/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNA7 P36544 1/20 0.32
STAT3 P40763 1/20 0.32
HMGCR P04035 1/20 0.31
GPR119 Q8TDV5 2/20 0.31

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
SCHEMBL14764011 0.82 ALDH1A1 (0.36) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL309490 0.81 LMNA (0.39) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL18503906 0.81 NPC1 (0.36) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL17204124 0.77 TSHR (0.44) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL17213211 0.77 TSHR (0.44) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL18513491 0.77 TSHR (0.44) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL2441097 0.73 LMNA (0.45) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL12032240 0.73 LMNA (0.39) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL21822060 0.72 LMNA (0.36) LMNACYP3A4ALOX15NPC1ALDH1A1
SCHEMBL2443192 0.72 LMNA (0.39) LMNACYP3A4ALOX15NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044282-A1 TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS THE UNIVERSITY OF NOTTINGHAM (GB) 2017-02-16 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-20170044282-A1 TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS GGPS1, DHPS, FDPS LMNA 2028/4885CYP3A4 9/4885ALOX15 52/4885

“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.