SCHEMBL19017281

SCHEMBL19017281

CCCCOB(C)OCCCNCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.41
SAT1 P21673 3/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 5/20 0.35
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL2177663 0.82 ADRB2 (0.43) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL15510951 0.78 TSHR (0.62) TSHRCYP2C19KMT2AMEN1GLA
SCHEMBL25565605 0.77 ADRB2 (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL22802794 0.76 TSHR (0.59) TSHRCYP2C19KMT2AMEN1GLA
SCHEMBL14235689 0.76 TSHR (0.59) TSHRCYP2C19KMT2AMEN1GLA
SCHEMBL17150115 0.71 DNM1 (0.42) TSHRKMT2AMEN1ALDH1A1ADRB2
SCHEMBL15511439 0.71 TSHR (0.59) TSHRCYP2C19KMT2AMEN1GLA
SCHEMBL36957 0.71
SCHEMBL22848917 0.70 TSHR (0.56) TSHRCYP2C19KMT2AMEN1GLA
SCHEMBL8979943 0.70 TSHR (0.56) TSHRCYP2C19KMT2AMEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170178823-A1 BORON CONTAINING PERYLENE MONOIMIDES, A PROCESS FOR THEIR PRODUCTION, THEIR USE AS BUILDING BLOCKS FOR THE PRODUCTION OF PERYLENE MONOIMIDE DERIVATIVES, MONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2017-06-22 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-20170178823-A1 BORON CONTAINING PERYLENE MONOIMIDES, A PROCESS FOR THEIR PRODUCTION, THEIR USE AS BUILDING BLOCKS FOR THE PRODUCTION OF PERYLENE MONOIMIDE DERIVATIVES, MONOIMIDE DERIVATIVES AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BRSK1, BRSK2, BTD TSHR 4809/4885CYP2C19 787/4885KMT2A 1302/4885

“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.