SCHEMBL24926762

SCHEMBL24926762

CCCCCC(C)(C)CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.40
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
FDPS P14324 11/20 0.32
GGPS1 O95749 7/20 0.32
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
SMPD1 P17405 1/20 0.30

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
SCHEMBL24070901 0.92 DNM1 (0.36) DNM1TSHR
Trimethylammonium SCHEMBL6037158 0.81 DNM1 (0.39) DNM1TSHRTHRBFDPSGGPS1
SCHEMBL1051882 0.80 DNM1 (0.40) DNM1TSHRTHRBFDPSGGPS1
Trimethylammonium SCHEMBL27922076 0.79 TSHR (0.44) DNM1TSHRTHRBFDPSGGPS1
SCHEMBL18743796 0.78 DNM1 (0.44) DNM1TSHRTHRBFDPSGGPS1
SCHEMBL6063824 0.78 TSHR (0.47) TSHRTHRBFDPSGGPS1CES2
SCHEMBL20856453 0.75 TSHR (0.53) TSHRTHRBFDPSGGPS1CES2
SCHEMBL20856500 0.75 TSHR (0.53) TSHRTHRBFDPSGGPS1CES2
SCHEMBL20856432 0.75 TSHR (0.53) TSHRTHRBFDPSGGPS1CES2
SCHEMBL20856434 0.75 TSHR (0.53) TSHRTHRBFDPSGGPS1CES2

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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 DNM1 2533/4885TSHR 1458/4885THRB 1338/4885

“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.