SCHEMBL8558598

SCHEMBL8558598

O=C(OC1CCc2ccccc21)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.46
CHRNA7 P36544 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45

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
SCHEMBL9722001 0.91 IDO1 (0.55) IDO1ALDH1A1LMNAKDM4EMEN1
SCHEMBL14062665 0.86 ALDH1A1 (0.47) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8308445 0.85 IDO1 (0.58) IDO1ALDH1A1TDP1MAPTKDM4E
SCHEMBL29590253 0.83 IDO1 (0.59) IDO1HTTHTR2COPRM1DRD3
SCHEMBL11142136 0.83 IDO1 (0.59) IDO1HTTHTR2COPRM1DRD3
SCHEMBL13625646 0.82 IDO1 (0.44) IDO1ALDH1A1LMNATDP1MAPT
SCHEMBL14297473 0.81 ALDH1A1 (0.71) ALDH1A1LMNATDP1MAPTKDM4E
SCHEMBL30908530 0.80 IDO1 (0.56) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL2175357 0.80 IDO1 (0.61) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL817976 0.80 IDO1 (0.56) IDO1HTR2COPRM1DRD3AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
EP-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
EP-0025017-A1 Polyazathia compounds, process for their preparation, pharmaceutical preparations containing such compounds and use of the latter CIBA-GEIGY AG (CH) 1981-03-11 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 (2 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-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM IDO1 1989/4885ALDH1A1 100/4885LMNA 4766/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM IDO1 1989/4885ALDH1A1 100/4885LMNA 4766/4885

“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.