SCHEMBL1758933

SCHEMBL1758933

CCC/C=N\c1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
ALOX12 P18054 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 3/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 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
SCHEMBL1758934 1.00 CA2 (0.38) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL30132730 0.80 ALDH1A1 (0.44) CA2ALOX12ALDH1A1TSHRTDP1
SCHEMBL242955 0.80 CA2 (0.46) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL242956 0.80 CA2 (0.46) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL23644549 0.75 MEN1 (0.35) CA2ALDH1A1TSHRTDP1GAA
SCHEMBL6558817 0.75 MEN1 (0.35) CA2ALDH1A1TSHRTDP1GAA
SCHEMBL20954046 0.74 CA2 (0.44) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL20211348 0.74 CA2 (0.44) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL7927338 0.70 GABRA1 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23644535 0.70 GABRA1 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR

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-20110108769-A1 Complexes for Use In Optoelectronic Components MERCK PATENT GMBH (DE) 2011-05-12 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-20110108769-A1 Complexes for Use In Optoelectronic Components OSTC, INTS9, NBAS CA2 3282/4885ALOX12 2083/4885GABRA1 2902/4885

“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.