SCHEMBL20623271

SCHEMBL20623271

c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ F9 P00740 2/20 0.37
▸ HPRT1 P00492 2/20 0.35
▸ NQO1 P15559 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ ESR1 P03372 3/20 0.33

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
SCHEMBL20623840 0.97 F9 (0.41) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL20623578 0.97 GPR3 (0.37) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL20623339 0.97 F9 (0.41) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL20623584 0.97 F9 (0.41) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL25731051 0.96 ALDH1A1 (0.38) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL20623830 0.96 GPR3 (0.38) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL20623839 0.96 GPR3 (0.38) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL20623264 0.95 F9 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL20623397 0.95 F9 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL26057206 0.95 HPRT1 (0.37) GPR3ALDH1A1MAPTHPGDRAB9A

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-20190006591-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 — — 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-20190006591-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, ESR1 GPR3 2777/4885ALDH1A1 195/4885MAPT 2194/4885

“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.

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