SCHEMBL25450682

SCHEMBL25450682

Cc1cc(-c2ccc(C(C)(C)C)cc2C)[n+](C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL26326898 0.88 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25885896 0.84 ALDH1A1 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL26013354 0.83 NPC1 (0.32) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL26014560 0.83 NPC1 (0.32) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25450386 0.81 TSHR (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25885898 0.81 ALDH1A1 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25445734 0.80 MAPT (0.37) ALDH1A1NPC1RAB9AHPGDALOX15
SCHEMBL25450628 0.78 TSHR (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25450683 0.78 ESR1 (0.33)
SCHEMBL26013578 0.77 NPC1 (0.30) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250118-A1 ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-08-10 US disclosed
US-20230240130-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-27 US disclosed
US-11653558-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-05-16 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 (3 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-20230250118-A1 ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF CRY1, LEF1, PIEZO1 ALDH1A1 500/4885NPC1 4075/4885PLA2G1B 3628/4885
US-20230240130-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBPL3, LBR, RBM3 ALDH1A1 1928/4885NPC1 1729/4885PLA2G1B 3670/4885
US-11653558-B2 Organic electroluminescent materials and devices OSBPL3, LBR, LOXL3 ALDH1A1 1600/4885NPC1 1255/4885PLA2G1B 3108/4885

“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.