SCHEMBL27018673

SCHEMBL27018673

Cc1ccc(Oc2ccc(F)cc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.46
HSPB1 P04792 1/20 0.46
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
SCN4A P35499 3/20 0.40
MMP13 P45452 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
FFAR1 O14842 2/20 0.38
CYP3A4 P08684 1/20 0.38
PTGS2 P35354 1/20 0.38
MMP14 P50281 2/20 0.37
ACHE P22303 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HPGD P15428 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
SCN9A Q15858 1/20 0.36
LTA4H P09960 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL19175514 0.77 HTR2A (0.53) SOS1HSPB1CYP1A2CYP2C19SCN4A
SCHEMBL351854 0.76 SOS1 (0.58) SOS1HSPB1SCN4AFFAR1CYP3A4
SCHEMBL6290683 0.76 SOS1 (0.58) SOS1HSPB1SCN4AFFAR1CYP3A4
SCHEMBL6289867 0.76 SOS1 (0.58) SOS1HSPB1SCN4AFFAR1CYP3A4
SCHEMBL23263219 0.75 SOS1 (0.50) SOS1HSPB1SCN4ACES2CES1
SCHEMBL423606 0.75 ACHE (0.68) SOS1HSPB1SCN4AMMP13ACHE
SCHEMBL29375733 0.74 SOS1 (0.56) SOS1HSPB1SCN4AFFAR1CYP3A4
SCHEMBL7367702 0.74 SOS1 (0.56) SOS1HSPB1SCN4AFFAR1CYP3A4
SCHEMBL27840745 0.72 NR4A1 (0.48) SOS1CYP1A2CYP2C19CYP3A4HPGD
SCHEMBL4371877 0.72 NPC1 (0.46) SOS1CYP1A2CYP2C19CYP3A4SCN9A

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-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 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-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS TXNRD2, TXNRD1, SDHB SOS1 2961/4885HSPB1 485/4885CYP1A2 276/4885

“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.