SCHEMBL24927622

SCHEMBL24927622

CCCCCCC(C)(CCCCCC)NCCNC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
S1PR2 O95136 5/20 0.33
S1PR4 O95977 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GGPS1 O95749 6/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FDPS P14324 8/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL22851365 0.98 EPHX1 (0.48) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL22851023 0.88 EPHX1 (0.52) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL18525926 0.85 EPHX1 (0.39) EPHX1TSHRTHRBGGPS1ALDH1A1
SCHEMBL19352948 0.85 EPHX1 (0.39) EPHX1TSHRTHRBGGPS1ALDH1A1
SCHEMBL20643823 0.85 EPHX1 (0.44) EPHX1TSHRTHRBGGPS1ALDH1A1
SCHEMBL24045162 0.85 EPHX1 (0.39) EPHX1TSHRTHRBGGPS1ALDH1A1
SCHEMBL21790405 0.83 EPHX1 (0.42) EPHX1TSHRTHRBGGPS1ALDH1A1
SCHEMBL22414336 0.82 TSHR (0.40) EPHX1TSHRTHRBGGPS1FDPS
SCHEMBL21155148 0.82 TSHR (0.40) EPHX1TSHRTHRBGGPS1FDPS
SCHEMBL19242564 0.80 TSHR (0.36) EPHX1TSHRTHRBGGPS1ALDH1A1

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 EPHX1 4089/4885S1PR2 3294/4885S1PR4 2366/4885

“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.