SCHEMBL20636768

SCHEMBL20636768

CC(C)(C)c1cccc2c1oc1c(Nc3ccccc3F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ C1R P00736 1/20 0.38
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

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
SCHEMBL29458781 1.00 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTNPSR1
SCHEMBL23967732 0.88 ALDH1A1 (0.37) RAB9AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL18101710 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EC1RSMN1; SMN2
SCHEMBL29458672 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EC1RSMN1; SMN2
SCHEMBL15852948 0.82 GAA (0.49) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL21111351 0.78 CA2 (0.46) ALDH1A1NPSR1MEN1KMT2AKIF11
SCHEMBL22740859 0.77 LMNA (0.44) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL20984008 0.75 NPSR1 (0.41) RAB9AMAPTNPSR1HTTSMN1; SMN2
SCHEMBL30940184 0.75 FADS1 (0.38) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL22936642 0.75 FADS1 (0.38) RAB9AALDH1A1MAPTKDM4ESMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306060-B2 Compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2022-04-19 — — US disclosed
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 — — EP disclosed
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 — — EP disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 — — US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 — — US disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 — — EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 — — EP 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 (2 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 NPC1 1478/4885RAB9A 2691/4885ALDH1A1 1103/4885
US-11306060-B2 Compound and organic electronic element comprising same OR10J3, ETV6, BMI1 NPC1 2364/4885RAB9A 2646/4885ALDH1A1 1193/4885

“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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