SCHEMBL6005218

SCHEMBL6005218

O=CC(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
ACP3 P15309 4/20 0.41
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1515712 0.88 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL29957205 0.83 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL16062471 0.82 CYP1A2 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL30692103 0.79 CYP1A2 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2CYP2A6
SCHEMBL615615 0.79 CYP1A2 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2CYP2A6
SCHEMBL7424379 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL6405535 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL845776 0.79 ALDH1A1 (0.61) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL29098166 0.76 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL24258027 0.75 CYP2C19 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103000723-A Solar cell MOTECH IND INC 2013-03-27 CN claimed
EP-0656893-B1 PHOTOCHROMIC OXAZINE COMPOUNDS RODENSTOCK OPTIK G (DE) 2001-12-12 EP claimed
EP-0656893-A1 PHOTOCHROMIC OXAZINE COMPOUNDS Optische Werke G. Rodenstock (DE) 1995-06-14 EP claimed
WO-1995000500-A1 PHOTOCHROMIC OXAZINE COMPOUNDS OPTISCHE WERKE G. RODENSTOCK (DE) 1995-01-05 WO claimed
CN-103000723-A Solar cell MOTECH IND INC 2013-03-27 CN disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ALDH1A1 228/4885CYP2C9 536/4885CYP2C19 298/4885

“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.