SCHEMBL16558674

SCHEMBL16558674

Fc1cc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR3 P46089 1/20 0.41
▸ LIMK1 P53667 2/20 0.38
▸ PIM3 Q86V86 1/20 0.37
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16558666 0.95 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15315577 0.92 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15315568 0.92 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15315576 0.92 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18960993 0.92 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18961005 0.92 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15315571 0.91 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18961010 0.89 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18961017 0.89 GPR3 (0.52) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24609480 0.88 ALDH1A1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10804469-B2 Charge transport material, organic electroluminescent element, and illumination device, display device, or light-emitting device characterized by using said element UDC IRELAND LIMITED (IE) 2020-10-13 — — US disclosed
US-20150069332-A1 CHARGE TRANSPORT MATERIAL, OGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE, DISPLAY DEVICE, OR LIGHT-EMITTING DEVICE CHARACTERIZED BY USING SAID ELEMENT UDC IRELAND LIMITED (IE) 2015-03-12 — — US disclosed
US-20150069332-A1 CHARGE TRANSPORT MATERIAL, OGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE, DISPLAY DEVICE, OR LIGHT-EMITTING DEVICE CHARACTERIZED BY USING SAID ELEMENT UDC IRELAND LIMITED (IE) 2015-03-12 — — 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-10804469-B2 Charge transport material, organic electroluminescent element, and illumination device, display device, or light-emitting device characterized by using said element ITGAL, ITGA1, ITGB1 ALDH1A1 1035/4885MAPT 2591/4885HPGD 4808/4885

“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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