SCHEMBL21742736

SCHEMBL21742736

c1ccc(-c2ccc(-c3ccc(Nc4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
PTGIR P43119 1/20 0.46
MAPT P10636 2/20 0.44
PIM3 Q86V86 1/20 0.43
IDO1 P14902 2/20 0.42
LIMK1 P53667 1/20 0.41
RIPK2 O43353 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
MAP3K8 P41279 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL14902261 1.00 GPR3 (0.47) GPR3PTGIRMAPTPIM3IDO1
SCHEMBL12960121 0.97 GPR3 (0.44) GPR3PTGIRMAPTPIM3IDO1
SCHEMBL14902267 0.97 GPR3 (0.47) GPR3PTGIRMAPTPIM3IDO1
SCHEMBL29839679 0.97 GPR3 (0.47) GPR3PTGIRMAPTPIM3IDO1
SCHEMBL17550951 0.97 GPR3 (0.50) GPR3PTGIRMAPTPIM3IDO1
SCHEMBL23765141 0.94 PTGIR (0.45) GPR3PTGIRMAPTPIM3IDO1
SCHEMBL17740739 0.94 PTGIR (0.45) GPR3PTGIRMAPTPIM3IDO1
SCHEMBL23764958 0.94 PTGIR (0.45) GPR3PTGIRMAPTPIM3IDO1
SCHEMBL24807990 0.93 PTGIR (0.52) GPR3PTGIRMAPTIDO1LIMK1
SCHEMBL17740737 0.93 PTGIR (0.52) GPR3PTGIRMAPTPIM3IDO1

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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR GPR3 3474/4885PTGIR 3236/4885MAPT 2103/4885

“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.