SCHEMBL19852095

SCHEMBL19852095

CC(C)(C)CC(C)(C)C(=O)O[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(=O)C(C)(C)CC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CTSS P25774 3/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSK P43235 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19852253 1.00 ALDH1A1 (0.46) ALDH1A1CTSSCTSLCTSBKMT2A
SCHEMBL19303305 0.85 ALDH1A1 (0.55) ALDH1A1CTSSCTSLCTSBKMT2A
SCHEMBL19852383 0.80 CTSS (0.42) ALDH1A1CTSSCTSLCTSBKMT2A
SCHEMBL6946124 0.78 ALDH1A1 (0.62) ALDH1A1CTSBKMT2AMAPK1L3MBTL1
SCHEMBL19851975 0.75 CYP4F2 (0.36) ALDH1A1KMT2AL3MBTL1MEN1CYP1A2
SCHEMBL19846175 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL19846201 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL19956533 0.74 ALDH1A1 (0.53) ALDH1A1CTSSCTSLCTSBKMT2A
SCHEMBL14530084 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL20001104 0.74 ALDH1A1 (0.49) ALDH1A1CTSSCTSLCTSBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640725-B2 Thermocleavable friction modifiers and methods thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-05-05 US disclosed
US-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-02-08 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 (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-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF F12, F5, F3 ALDH1A1 3303/4885CTSS 4317/4885CTSL 4557/4885
US-10640725-B2 Thermocleavable friction modifiers and methods thereof F12, F5, F3 ALDH1A1 3303/4885CTSS 4317/4885CTSL 4557/4885

“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.