SCHEMBL25583282

SCHEMBL25583282

CC(C)(C)c1ccc2c(c1)S(C)(C)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
PLA2G1B P04054 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL26055073 0.92 ALDH1A1 (0.47) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25035820 0.84 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25583844 0.84 KIF11 (0.47) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25583785 0.80 KIF11 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL23072162 0.79 ALDH1A1 (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12145510 0.72 GPR3 (0.57) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1134715 0.72 ALDH1A1 (0.58) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1134700 0.72 ALDH1A1 (0.58) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL22871580 0.71 LMNA (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12145524 0.71 ALDH1A1 (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-15 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-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE CNOT1, NXF1, NR2E1 ALDH1A1 2636/4885NPC1 2521/4885PLA2G1B 3122/4885

“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.