SCHEMBL3095188

SCHEMBL3095188

CC(C)c1ccc(CN2CCc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
ALOX15 P16050 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
TRPM5 Q9NZQ8 1/20 0.52
TNF P01375 1/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PTK2B Q14289 1/20 0.48
ESR2 Q92731 1/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
DRD4 P21917 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL28567500 0.84 DRD4 (0.61) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL3098204 0.83 ALDH1A1 (0.58) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL3096260 0.83 ALDH1A1 (0.58) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL15701646 0.82 ADRB2 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL29558 0.82 ALDH1A1 (0.66) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL29875634 0.82 ALDH1A1 (0.66) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL15524922 0.80 LMNA (0.41) MAPTLMNAKDM4EHDAC1HDAC6
SCHEMBL15447287 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL3850387 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL29571652 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15MEN1KMT2AUSP2

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 ALDH1A1 1026/4885ALOX15 2676/4885MEN1 2579/4885

“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.