SCHEMBL21164703

SCHEMBL21164703

CC1CC2CC(C1)CC(C)(NC(=O)CN1CCCCC1)C2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CACNA1H O95180 9/20 0.48
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21164621 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1POLBCYP3A4GAA
SCHEMBL4365559 0.79 ALDH1A1 (0.94) ALDH1A1L3MBTL1POLBCYP3A4GAA
SCHEMBL20445509 0.76 KMT2A (0.39) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL20290187 0.72 EPHX1 (0.44) ALDH1A1GAASMN1; SMN2
SCHEMBL24250786 0.71 HSD11B1 (0.41) ALDH1A1L3MBTL1
SCHEMBL18177916 0.71 ALDH1A1 (0.94) ALDH1A1L3MBTL1POLBCYP3A4GAA
SCHEMBL18809046 0.71 ALDH1A1 (0.43) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL13577608 0.69 EPHX1 (0.63) ALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL20147371 0.69 SIGMAR1 (0.47) ALDH1A1POLBCYP3A4GAACYP2C19
SCHEMBL23846112 0.69 OPRK1 (0.61) ALDH1A1POLBLMNASMN1; SMN2

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-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ALDH1A1 1121/4885L3MBTL1 2703/4885POLB 3520/4885

“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.