SCHEMBL21984072

SCHEMBL21984072

c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c5ccccc45)cc(N(c4ccccc4)c4ccccc4)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ABCB1 P08183 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ F9 P00740 1/20 0.32
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ LIMK1 P53667 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
SCHEMBL21984307 0.98 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21984070 0.96 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21984312 0.96 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26687127 0.94 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26687118 0.94 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL14295405 0.92 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19429135 0.90 PIM3 (0.33) ABCB1F9RXRARXRBLIMK1
SCHEMBL17369901 0.89 GPR3 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21984080 0.89 GPR3 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21984311 0.89 GPR3 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-20200136052-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2020-04-30 — — 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-20200136052-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, ORAI2, VDAC2 ALDH1A1 2047/4885MAPT 2707/4885HPGD 3817/4885

“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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