SCHEMBL18474153

SCHEMBL18474153

CC1Cc2cccc(F)c2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.54
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
HTR1A P08908 4/20 0.42
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6047927 0.84 PARP1 (0.48) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL4596510 0.83 PARP1 (0.47) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL19122972 0.82 PARP1 (0.56) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL13074639 0.82 PARP1 (0.56) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL3349343 0.81 HPGD (0.38) PARP1HTR1ABRD4CREBBPDRD2
SCHEMBL17974425 0.78 PRKAB2 (0.45) PARP1MAOAHTR1APRKAB2PRKAG1
SCHEMBL5544997 0.77 MAOA (0.62) PARP1MAOAMAOBHTR1ADRD2
SCHEMBL22474523 0.77 DRD2 (0.40) PARP1HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL18181803 0.77 PARP1 (0.58) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL2249971 0.77 PARP1 (0.58) PARP1MAOAMAOBHTR1ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US 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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 PARP1 2600/4885MAOA 1221/4885MAOB 260/4885

“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.