SCHEMBL17465354

SCHEMBL17465354

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccc5sc6ccccc6c5c4)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.44
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTPN7 P35236 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ PTPN12 Q05209 1/20 0.37
▸ PTPN22 Q9Y2R2 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PTGIR P43119 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ PTPN1 P18031 3/20 0.33
▸ APP P05067 1/20 0.33
▸ POLB P06746 1/20 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
SCHEMBL12960038 1.00 GPR3 (0.44) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL12960076 1.00 GPR3 (0.44) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL12960070 1.00 GPR3 (0.44) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL14295386 0.98 GPR3 (0.42) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL12960080 0.98 GPR3 (0.42) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL17126509 0.97 GPR3 (0.41) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL12960058 0.97 GPR3 (0.41) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL23172268 0.97 GPR3 (0.47) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL12414487 0.97 GPR3 (0.47) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL15213703 0.97 GPR3 (0.47) GPR3CYP1A2MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 — — US disclosed
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 — — US disclosed
WO-2016013816-A1 ORGANIC ELECTRICAL ELEMENT USING COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2016-01-28 — — WO 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-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 GPR3 4847/4885CYP1A2 1113/4885MAPT 2628/4885

“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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