SCHEMBL25619971

SCHEMBL25619971

CCCCOc1cc(C)c(NC(=O)C[N+](CC)(CC)CC)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CYP1A2 P05177 3/20 0.57
SCN1A P35498 2/20 0.57
SCN2A Q99250 2/20 0.57
SCN3A Q9NY46 2/20 0.57
CYP2C9 P11712 2/20 0.57
MAPT P10636 2/20 0.57
ALOX15 P16050 1/20 0.57
LMNA P02545 2/20 0.56
BLM P54132 1/20 0.56
HPGD P15428 5/20 0.43
HSD17B10 Q99714 2/20 0.43
PTPRB P23467 1/20 0.43
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL25620024 0.95 MEN1 (0.55) MEN1KMT2ACYP1A2SCN1ASCN2A
SCHEMBL25620021 0.87 MEN1 (0.61) MEN1KMT2ACYP1A2SCN1ASCN2A
SCHEMBL25620014 0.83 KMT2A (0.53) MEN1KMT2ACYP1A2SCN1ASCN2A
SCHEMBL25620007 0.83 MEN1 (0.50) MEN1KMT2ACYP1A2SCN1ASCN2A
SCHEMBL25619985 0.82 MAPT (0.52) MEN1KMT2ACYP1A2SCN1ASCN2A
SCHEMBL7227329 0.82 HPGD (0.49) CYP1A2MAPTLMNAHPGDHSD17B10
SCHEMBL25619977 0.81 MEN1 (0.60) MEN1KMT2ACYP1A2SCN1ASCN2A
SCHEMBL25621664 0.80 KMT2A (0.56) MEN1KMT2ACYP1A2SCN1ASCN2A
SCHEMBL25622735 0.80 MEN1 (0.58) MEN1KMT2ACYP1A2SCN1ASCN2A
SCHEMBL25619974 0.80 KMT2A (0.58) MEN1KMT2ACYP1A2SCN1ASCN2A

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-20230183169-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN DRUG Sichuan Academy Of Medical Sciences · Sichuan Provincial People's Hospital (CN) 2023-06-15 US disclosed
US-20230183169-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN DRUG Sichuan Academy Of Medical Sciences · Sichuan Provincial People's Hospital (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-20230183169-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN DRUG NOTUM, BYSL, TYR MEN1 2637/4885KMT2A 2785/4885CYP1A2 486/4885

“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.