SCHEMBL13445155

SCHEMBL13445155

Cc1cc(-c2ccc(C(=O)c3ccccc3)cc2)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 2/20 0.46
KAT6A Q92794 1/20 0.45
PGR P06401 1/20 0.45
MAP4K4 O95819 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NSD2 O96028 1/20 0.43
CNR2 P34972 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
KDM1A O60341 3/20 0.41
EGFR P00533 1/20 0.41
SLC2A1 P11166 1/20 0.41
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14305769 0.89 HPGD (0.42) PGRLMNAMAPTCNR2EGFR
SCHEMBL13445159 0.85 KIF11 (0.54) NSD2KDM1APDK2
SCHEMBL13445154 0.85 KIF11 (0.54) NSD2KDM1APDK2
SCHEMBL14305804 0.84 HSD17B1 (0.51) HSD17B1HSD17B2MEN1LMNAMAPT
SCHEMBL13063666 0.84 MAPT (0.60) KAT6APGRMEN1LMNAMAPT
SCHEMBL13063665 0.84 MAPT (0.60) KAT6APGRMEN1LMNAMAPT
SCHEMBL13445156 0.84 MAPT (0.60) KAT6APGRMEN1LMNAMAPT
SCHEMBL9967905 0.84 MAPT (0.60) KAT6APGRMEN1LMNAMAPT
SCHEMBL12424113 0.83 CNR2 (0.52) HSD17B1HSD17B2MEN1LMNAMAPT
SCHEMBL14306406 0.82 CYP1A2 (0.47) PGRMEN1LMNAMAPTKMT2A

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-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2010-04-01 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-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND SIGMAR1, SFN, CRY2 HSD17B1 2692/4885HSD17B2 2082/4885KAT6A 4136/4885

“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.