SCHEMBL10145006

SCHEMBL10145006

COCC#Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.36
ALOX5 P09917 3/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ACHE P22303 3/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
REN P00797 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
KIF11 P52732 1/20 0.34
ITK Q08881 1/20 0.34
PTGES O14684 1/20 0.33
SOD1 P00441 1/20 0.33
GRM5 P41594 1/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 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
SCHEMBL8960332 0.81 HDAC4 (0.38) ALOX5HDAC4HDAC2HDAC8ACHE
SCHEMBL10145007 0.79 HDAC4 (0.41) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL26775741 0.79 RARB (0.44) KIF11LMNA
SCHEMBL8349426 0.74 CYP2C19 (0.52) LMNAPOLBHTT
SCHEMBL12203266 0.73 NPC1 (0.36) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL28676056 0.73 HDAC8 (0.40) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL24884465 0.72 CHRM2 (0.40) CHRM2CHRM1CHRM3RENCTSD
SCHEMBL3837719 0.72 FFAR1 (0.41) CHRM2CHRM1CHRM3PTGESGRM5
SCHEMBL4513477 0.70 KIF11 (0.41) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL34460063 0.70 KIF11 (0.41) HDAC4HDAC2HDAC8ACHEKIF11

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-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 SLC1A5 2375/4885ALOX5 162/4885HDAC4 375/4885

“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.