SCHEMBL22600637

SCHEMBL22600637

C=C/C=c1\c(=C/C=C)sc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.32
▸ MAPT P10636 4/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP3 P42574 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18560415 0.89 GPR3 (0.40) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL17950785 0.87 GPR3 (0.39) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL21704016 0.83 GPR3 (0.35) GPR3ALDH1A1KDM4ELMNACASP1
SCHEMBL24712682 0.82 GPR3 (0.34) GPR3ALDH1A1
SCHEMBL24426308 0.81 GPR3 (0.43) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL19880545 0.81 GPR3 (0.43) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL21250117 0.80 GPR3 (0.35) GPR3MAPTRAB9AMEN1KMT2A
SCHEMBL16325408 0.76 ALDH1A1 (0.38) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL22617560 0.76 GPR3 (0.35) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL20457481 0.75 ALDH1A1 (0.35) GPR3ALDH1A1MAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790875-B1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2024-07-03 — — EP disclosed
US-11825740-B2 Amine compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 — — US disclosed
US-20230329092-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-10-12 — — US disclosed
US-20200339608-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DISPLAY PANEL WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2020-10-29 — — 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 (3 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-20230329092-A1 MATERIALS FOR ELECTRONIC DEVICES SOD1, GPX1, EFNA1 GPR3 4760/4885ALDH1A1 595/4885MAPT 2570/4885
US-20200339608-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DISPLAY PANEL CTNND1, CTNNB1, EML4 GPR3 3646/4885ALDH1A1 74/4885MAPT 93/4885
US-11825740-B2 Amine compound and organic light-emitting device including the same AOC2, AOC1, AOC3 GPR3 1754/4885ALDH1A1 19/4885MAPT 446/4885

“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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