SCHEMBL16632987

SCHEMBL16632987

OB(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.41
HTR2A P28223 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 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
SCHEMBL1044055 0.84 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29953549 0.84 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL1478687 0.78 GPR3 (0.44) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL27462668 0.74 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29376368 0.69 MAOA (0.52) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL14870743 0.69 POLB (0.50) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL216862 0.69 MAOA (0.52) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL6903531 0.69 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29469332 0.69 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29469331 0.69 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7

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-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B GPR3 809/4885HTR2A 388/4885HDAC3 1847/4885

“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.