SCHEMBL19251583

SCHEMBL19251583

CC1(C)CCC(C)(C)OC(=O)OC(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
LMNA P02545 4/20 0.32
TP53 P04637 4/20 0.32
CYP3A4 P08684 4/20 0.32
MAPK1 P28482 4/20 0.32
CYP1A2 P05177 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HIF1A Q16665 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
GMNN O75496 2/20 0.32
MAPT P10636 2/20 0.32
NFKB1 P19838 2/20 0.32
THPO P40225 2/20 0.32
MTOR P42345 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL11377593 0.84 LMNA (0.36) LMNACYP2C9
SCHEMBL11442968 0.78 TP53 (0.30) LMNATP53CYP3A4MAPK1CYP1A2
SCHEMBL33484 0.74
SCHEMBL7042707 0.73 ALDH1A1 (0.31) LMNAALDH1A1
SCHEMBL16768797 0.73 TSHR (0.38) LMNAALDH1A1PTPN1TSHR
SCHEMBL10573946 0.71 LMNA (0.35) LMNAMEN1KMT2ATHRB
SCHEMBL14751824 0.70 MEN1 (0.33) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4020219 0.69
SCHEMBL6329999 0.69
SCHEMBL92282 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
WO-2020219906-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 WO disclosed
EP-2348360-B1 Photoresist comprising nitrogen-containing compound ROHM & HAAS ELECT MAT (US) 2017-09-27 EP disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A IDO1 1208/4885LMNA 2753/4885TP53 2983/4885

“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.