SCHEMBL26259693

SCHEMBL26259693

CC(C)(C)c1cc(C#N)c2cc(C(C)(C)C)cc(C#N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CSNK1D P48730 2/20 0.35
CSNK1G2 P78368 2/20 0.35
POLB P06746 1/20 0.34
AR P10275 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ACACB O00763 1/20 0.31
CSNK1A1 P48729 1/20 0.30
GSK3B P49841 1/20 0.30
HTR1D P28221 1/20 0.30
DHODH Q02127 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
TSHR P16473 1/20 0.30
MAPK14 Q16539 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL26179247 0.82 ESR1 (0.39) KIF11CSNK1DCSNK1G2ARALDH1A1
SCHEMBL16097843 0.79 KIF11 (0.38) KIF11GABRA1GABRB2CSNK1DCSNK1G2
SCHEMBL11325776 0.79 KIF11 (0.42) KIF11CSNK1DCSNK1G2ARALDH1A1
SCHEMBL19798859 0.78 NCOA3 (0.42) KIF11ALDH1A1TSHRMAPK14
SCHEMBL26259539 0.74 DHODH (0.38) KIF11CSNK1DCSNK1G2ARALDH1A1
SCHEMBL497451 0.74 KIF11 (0.47) KIF11CSNK1DCSNK1G2ARALDH1A1
SCHEMBL13026557 0.74 KIF11 (0.38) KIF11GABRA1GABRB2POLBALDH1A1
SCHEMBL30566936 0.74 KIF11 (0.47) KIF11CSNK1DCSNK1G2ARALDH1A1
SCHEMBL23542359 0.74 ALDH1A1 (0.42) KIF11GABRA1GABRB2ARALDH1A1
SCHEMBL26179221 0.74 KIF11 (0.34) KIF11GABRA1GABRB2POLBAR

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 2 patents. 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
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 KIF11 1764/4885GABRA1 2692/4885GABRB2 2924/4885

“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.