SCHEMBL6556526

SCHEMBL6556526

CCc1c(OC)cc(C=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.53
TSHR P16473 2/20 0.53
FDPS P14324 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
TRIM24 O15164 1/20 0.48
HPGD P15428 1/20 0.48
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
AOX1 Q06278 1/20 0.44
MAPK1 P28482 1/20 0.43
TTR P02766 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A3 P47895 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TUBB1 Q9H4B7 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
SCHEMBL13600738 0.87 ALDH1A1 (0.46) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL919081 0.84 ALDH1A1 (0.50) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL11849166 0.82 ALDH1A1 (0.52) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL6291111 0.82 ALDH1A1 (0.52) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL17345395 0.82 ALDH1A1 (0.52) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL7196531 0.81 ALDH1A1 (0.47) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL27002149 0.80 ALOX5 (0.47) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL25173455 0.79 ALDH1A1 (0.52) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL12830746 0.79 ALDH1A1 (0.48) ALDH1A1TSHRFDPSTDP1TRIM24
SCHEMBL13013191 0.78 ALDH1A1 (0.44) ALDH1A1TSHRFDPSTDP1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285327-A1 DESOXYSCALINE DERIVATIVES WITH MODIFIED MESCALINE-LIKE ACTION Mind Medicine, Inc. (US) 2023-09-14 US disclosed
WO-2023091437-A1 DESOXYSCALINE DERIVATIVES WITH MODIFIED MESCALINE-LIKE ACTION Mind Medicine, Inc. (US) 2023-05-25 WO disclosed
US-20230150906-A1 DESOXYSCALINE DERIVATIVES WITH MODIFIED MESCALINE-LIKE ACTION Mind Medicine, Inc. (US) 2023-05-18 US disclosed
WO-2018039376-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-03-01 WO disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
US-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 US disclosed
EP-2576514-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT SA (FR) 2013-04-10 EP disclosed
WO-2011151423-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2011-12-08 WO disclosed
WO-2011151423-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2011-12-08 WO disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
EP-0958285-B1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES HOFFMANN LA ROCHE (CH) 2004-01-07 EP disclosed
CN-1113872-C Tricyclicbenzo [3] isoindole and benzo (h) isoquinoline HOFFMANN LA ROCHE (CH) 2003-07-09 CN disclosed
US-6310208-B1 Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
EP-0958285-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998030546-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-16 WO 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-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB, TUBB1 ALDH1A1 2257/4885TSHR 4849/4885FDPS 1240/4885

“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.