SCHEMBL45841

SCHEMBL45841

c1ccc2c(c1)ccc1ccc3c4ccccc4sc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HPRT1 P00492 1/20 0.43
NQO1 P15559 1/20 0.42
NQO2 P16083 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2A6 P11509 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL17299458 0.90 GPR3 (0.54) GPR3HSD17B10HPGDRAB9AL3MBTL1
SCHEMBL2606564 0.87 GPR3 (0.46) GPR3HSD17B10HPGDRAB9AL3MBTL1
SCHEMBL29903935 0.86 GPR3 (0.54) GPR3HSD17B10HPGDRAB9AL3MBTL1
SCHEMBL1294668 0.86 GPR3 (0.54) GPR3HSD17B10HPGDRAB9AL3MBTL1
SCHEMBL29093453 0.85 HSD17B10 (0.46) GPR3HSD17B10HPGDRAB9AL3MBTL1
SCHEMBL17167419 0.84 ALOX5 (0.40) GPR3HPGDRAB9AL3MBTL1ATM
SCHEMBL15893366 0.84 ALOX5 (0.40) GPR3HSD17B10HPGDRAB9AL3MBTL1
SCHEMBL15893365 0.84 HPRT1 (0.41) GPR3HSD17B10HPGDRAB9AL3MBTL1
SCHEMBL9965353 0.84 HPRT1 (0.58) GPR3HSD17B10HPGDRAB9AL3MBTL1
SCHEMBL22155783 0.84 MAPT (0.45) GPR3HSD17B10HPGDRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147959-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2023-05-11 US disclosed
US-20230147959-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2023-05-11 US disclosed
US-20230140483-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2023-05-04 US disclosed
US-20230140483-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2023-05-04 US disclosed
US-10968208-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2021-04-06 US disclosed
US-20200223835-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-16 US disclosed
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 US disclosed
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 US disclosed
WO-2017043797-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-03-16 WO disclosed
WO-2011108902-A9 COMPOUND COMPRISING AT LEAST TWO COMPOUNDS COMPRISING AT LEAST TWO FIVE-MEMBERED HETERO RINGS, AN ORGANIC ELECTRICAL ELEMENT USING THE SAME AND A TERMINAL THEREOF 덕산하이메탈(주) (KR) 2012-03-01 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 (5 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-20230140483-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 GPR3 1374/4885HSD17B10 1150/4885HPGD 1565/4885
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 GPR3 1422/4885HSD17B10 1925/4885HPGD 3384/4885
US-10968208-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof PIEZO1, OCIAD1, EML4 GPR3 4672/4885HSD17B10 2469/4885HPGD 3515/4885
US-20230147959-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD2, OCIAD1, OXER1 GPR3 1072/4885HSD17B10 1528/4885HPGD 1745/4885
US-20200223835-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, EML4 GPR3 4672/4885HSD17B10 2469/4885HPGD 3515/4885

“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.