SCHEMBL6265025

SCHEMBL6265025

CC(C)Cc1cc(=O)c2cc3c4c(c2o1)CCCN4CCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.60
▸ MEN1 O00255 9/20 0.60
▸ ALDH1A1 P00352 8/20 0.60
▸ USP2 O75604 7/20 0.60
▸ MAPT P10636 6/20 0.60
▸ KDM4E B2RXH2 6/20 0.60
▸ LMNA P02545 6/20 0.60
▸ GAA P10253 5/20 0.60
▸ HPGD P15428 5/20 0.60
▸ CASP1 P29466 5/20 0.60
▸ CASP7 P55210 5/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ ATM Q13315 3/20 0.60
▸ GLA P06280 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TDP1 Q9NUW8 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.51

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
SCHEMBL9557230 0.77 KMT2A (0.57) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL14303302 0.75 KMT2A (0.67) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL14146535 0.75 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL17914323 0.74 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL29440640 0.74 MEN1 (0.73) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL394375 0.74 MEN1 (0.73) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL903151 0.73 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL12153732 0.73 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL21905456 0.73 MEN1 (0.55) KMT2AMEN1ALDH1A1USP2MAPT
SCHEMBL30056369 0.73 KMT2A (0.82) KMT2AMEN1ALDH1A1USP2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283855-B1 STABLE NEAR-INFRARED (NIR) MARKER DYES BASED ON BENZOPYRYLIUM-POLYMETHINES DYOMICS GMBH (DE) 2005-11-02 — — EP disclosed
US-6750346-B2 CHROMENES AS TERMINAL END GROUPS CARL ZEISS JENA GMBH (DE) 2004-06-15 — — US disclosed
US-20020115862-A1 Stable near-infrared (nir) marker dyes based on benzopyrylium-polymethines DYOMICS GMBH (DE) 2002-08-22 — — 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-20020115862-A1 Stable near-infrared (nir) marker dyes based on benzopyrylium-polymethines CYBA, MKI67, CYP3A5 KMT2A 3682/4885MEN1 3871/4885ALDH1A1 1241/4885

“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.

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