SCHEMBL26259653

SCHEMBL26259653

CC(C)(C)c1ccc2c(C#N)cccc2c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AR P10275 4/20 0.35
NAMPT P43490 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ANPEP P15144 1/20 0.34
SQOR Q9Y6N5 1/20 0.33
MEN1 O00255 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL26259669 0.85 ALDH1A1 (0.34) ALDH1A1KDM4EGAAMAPTCA2
SCHEMBL26259527 0.81 SQOR (0.43) IMPDH2IMPDH1ALDH1A1KDM4EGAA
SCHEMBL1395550 0.80 CA2 (0.41) ALDH1A1MAPTCA1CA2AR
SCHEMBL2669999 0.78 IMPDH2 (0.52) IMPDH2IMPDH1ALDH1A1KDM4EGAA
SCHEMBL26259586 0.77 TSHR (0.47) PNMTIMPDH2IMPDH1ALDH1A1KDM4E
SCHEMBL26259347 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL21451350 0.75 CA2 (0.48) ALDH1A1KDM4EGAAMAPTCA2
SCHEMBL9746966 0.74 PNMT (0.52) PNMTIMPDH2IMPDH1ALDH1A1KDM4E
SCHEMBL45954 0.74 CA1 (0.54) PNMTIMPDH2IMPDH1ALDH1A1KDM4E
SCHEMBL29489124 0.74 CA1 (0.54) PNMTIMPDH2IMPDH1ALDH1A1KDM4E

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-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 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-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND NUDC, CCNL2, SPIN3 PNMT 862/4885IMPDH2 4066/4885IMPDH1 3713/4885

“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.