SCHEMBL871874

SCHEMBL871874

COC(=O)c1nccnc1OCc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
FFAR1 O14842 2/20 0.48
KDM4E B2RXH2 1/20 0.45
ASPH Q12797 1/20 0.45
KDM8 Q8N371 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CSF1R P07333 1/20 0.44
SMPD1 P17405 1/20 0.44
PLA2G4B P0C869 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2636713 0.87 RAB9A (0.57) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL24993602 0.82 TDP1 (0.50) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL784068 0.81 RAB9A (0.60) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL2636206 0.80 HTT (0.49) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL18824977 0.80 HTR1A (0.46) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL2636714 0.78 NPC1 (0.54) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL29173548 0.77 SCNN1A (0.50) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL31214279 0.76 NPSR1 (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL958881 0.76 NPSR1 (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13412435 0.74 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1POLB

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
US-8841298-B2 Substituted pyrano[2,3-B]pyrazines as herbicides BASF SE (DE) 2014-09-23 US disclosed
US-20120077678-A1 Substituted Pyrazine (Thio)Pyrans with a Herbicidal Action BASF SE (DE) 2012-03-29 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-20120077678-A1 Substituted Pyrazine (Thio)Pyrans with a Herbicidal Action PFAS, TST, TPMT HTT 604/4885MAPT 1848/4885ALDH1A1 490/4885

“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.