SCHEMBL15003445

SCHEMBL15003445

Nc1ccccc1Sc1c(F)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
KEAP1 Q14145 1/20 0.42
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPRT1 P00492 2/20 0.37
USP2 O75604 1/20 0.37
PAK1 Q13153 1/20 0.37
PDE7A Q13946 2/20 0.36

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
SCHEMBL15003434 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL16218708 0.80 HPRT1 (0.37) ALDH1A1TSHRHSD17B10CYP1A2HPRT1
SCHEMBL15003462 0.74 ALDH1A1 (0.50) ALDH1A1TSHRHPGDLMNAKMT2A
SCHEMBL19901855 0.71 CYP2A6 (0.44) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL31323122 0.71 CYP2A6 (0.44) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL30567146 0.70 MEN1 (0.52) ALDH1A1CYP3A4GFERLMNAKMT2A
SCHEMBL1341376 0.70 MEN1 (0.52) ALDH1A1CYP3A4GFERLMNAKMT2A
SCHEMBL29869345 0.69 MEN1 (0.68) ALDH1A1CYP3A4TSHRGFERLMNA
SCHEMBL713707 0.69 MEN1 (0.68) ALDH1A1CYP3A4TSHRGFERLMNA
SCHEMBL16187979 0.68 CYP1A2 (0.63) ALDH1A1CYP3A4HPGDGFERLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10991885-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2021-04-27 US disclosed
US-9905773-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-02-27 US disclosed
US-9905773-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-02-27 US disclosed
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 US disclosed
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 US disclosed
WO-2013081315-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE COMPRISING SAME AND ELECTRONIC DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE 덕산하이메탈(주) (KR) 2013-06-06 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-10991885-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof GPX1, OR51E2, EML4 ALDH1A1 684/4885CYP3A4 1781/4885TSHR 4571/4885

“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.