SCHEMBL26259347

SCHEMBL26259347

CC(C)(C)c1ccc2ccccc2c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
SQOR Q9Y6N5 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 3/20 0.39
CYP2A6 P11509 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 2/20 0.39
HPRT1 P00492 1/20 0.37

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
SCHEMBL9806353 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2MAPTMEN1
SCHEMBL26259669 0.80 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15853174 0.80 PIM1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL26259363 0.77 NR1I2 (0.50) ALDH1A1KDM4ECYP1A2HPGDCYP3A4
SCHEMBL26259351 0.76 CCR4 (0.35) ALDH1A1KDM4ECYP1A2MAPTMEN1
SCHEMBL26259653 0.75 PNMT (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL19798864 0.75 HSD17B10 (0.44) ALDH1A1KDM4ECYP1A2MAPTMEN1
SCHEMBL5251870 0.75 CYP1A2 (0.54) ALDH1A1KDM4ECYP1A2MAPTMEN1
SCHEMBL1906196 0.74 HSD17B10 (0.48) ALDH1A1KDM4ECYP1A2MAPTMEN1
SCHEMBL21451350 0.73 CA2 (0.48) ALDH1A1KDM4ECYP1A2MAPTMEN1

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 ALDH1A1 2125/4885KDM4E 1663/4885CYP1A2 459/4885

“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.