SCHEMBL3085395

SCHEMBL3085395

CCc1ccc(Cc2c(C)n(C)c3ccc[c]c23)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL3091845 0.84 KDM4E (0.30) KDM4EALDH1A1HPGD
SCHEMBL3482932 0.77 KDM4E (0.33) KDM4EALDH1A1HPGD
SCHEMBL3085397 0.76 GPR3 (0.47) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL3483251 0.71 NPSR1 (0.35) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3088499 0.71 THRA (0.31)
SCHEMBL3078539 0.70 HTT (0.38) KDM4EALDH1A1POLB
SCHEMBL3092196 0.67
SCHEMBL3084755 0.66 TYMP (0.34)
SCHEMBL3087658 0.65 CYP1A2 (0.35)
SCHEMBL4223544 0.64 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1POLB

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 KDM4E 2711/4885ALDH1A1 1026/4885HPGD 1722/4885

“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.