SCHEMBL3090776

SCHEMBL3090776

COc1ccc(Cc2[c][nH]c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
KDR P35968 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 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
SCHEMBL3086790 0.83 MEN1 (0.38) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3096966 0.83 KIF11 (0.44) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL6709570 0.82 KMT2A (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3085524 0.79 SLC6A4 (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL640081 0.71 KIF11 (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL984055 0.71 LTA4H (0.67) LTA4HMEN1KMT2AMAOBALDH1A1
SCHEMBL3090779 0.71 GPR84 (0.71) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11493601 0.71 MAPT (0.52) LTA4HCNR1MEN1KMT2AMAPT
SCHEMBL28098683 0.70 CNR1 (0.62) LTA4HCNR1CNR2MEN1KMT2A
SCHEMBL3084454 0.70 MAOB (0.50) LTA4HMEN1KMT2AMAOBKDR

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 LTA4H 2233/4885CNR1 950/4885CNR2 1966/4885

“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.