SCHEMBL23200345

SCHEMBL23200345

CCCCOC(=O)C1(C(C)C)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.40
TSHR P16473 4/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
NAAA Q02083 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 2/20 0.34
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL11292675 0.81 ALDH1A1 (0.34) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL19701698 0.80 ALDH1A1 (0.40) ALDH1A1ATMTSHRMEN1KMT2A
SCHEMBL16086201 0.78 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL14504414 0.78 SMN1; SMN2 (0.41) ALDH1A1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL234860 0.77 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL14463170 0.77 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL23199851 0.77 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL9915387 0.77 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL13914129 0.75 ALDH1A1 (0.37) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL16391280 0.75 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDMEN1

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-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 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-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 ALDH1A1 2734/4885ATM 1656/4885TSHR 1550/4885

“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.