SCHEMBL3085394

SCHEMBL3085394

CCc1ccc(CC2[C](C)N(C)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
TP53 P04637 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ACHE P22303 2/20 0.33
HPGD P15428 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
SCHEMBL3091840 0.84 EGFR (0.40) EGFRTP53HDAC4HDAC7HDAC5
SCHEMBL5667766 0.78 EGFR (0.50) EGFRHDAC4HDAC7HDAC5MEN1
SCHEMBL31613810 0.78 EGFR (0.50) EGFRHDAC4HDAC7HDAC5MEN1
SCHEMBL13489152 0.76 EGFR (0.49) EGFRHDAC4HDAC7HDAC5MEN1
SCHEMBL9719345 0.68 ROCK2 (0.51) EGFRTP53MEN1KMT2AALDH1A1
SCHEMBL3088498 0.68 KMT2A (0.40) TP53MEN1KMT2AMAPTL3MBTL1
SCHEMBL6997095 0.66 HTR2A (0.54) EGFRHDAC4HDAC7HDAC5ACHE
SCHEMBL24664741 0.66 ALDH1A1 (0.65) EGFRHDAC4HDAC7HDAC5MEN1
SCHEMBL29206307 0.63 MGLL (0.48) TP53ALDH1A1MAPTTHRBKDM4E
SCHEMBL8488571 0.63 ALDH1A1 (0.53) EGFRHDAC4HDAC7HDAC5MEN1

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
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 EP 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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR EGFR 2076/4885TP53 4276/4885HDAC4 553/4885

“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.