SCHEMBL23558682

SCHEMBL23558682

Nc1ccc2ccccc2c1-c1cccc2c1sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PARP14 Q460N5 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KEAP1 Q14145 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR3 P46089 1/20 0.38
PRKDC P78527 6/20 0.38
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NQO1 P15559 1/20 0.36
NQO2 P16083 1/20 0.36
DNMT1 P26358 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 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
SCHEMBL23989044 0.85 PRKDC (0.47) ALOX5PARP14ALDH1A1HPGDTSHR
SCHEMBL2182822 0.84 ALOX5 (0.47) ALOX5PARP14ALDH1A1HPGDKEAP1
SCHEMBL124825 0.81 ALOX5 (0.49) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL28512897 0.80 PARP14 (0.46) ALOX5PARP14ALDH1A1TSHRHSD17B10
SCHEMBL4915508 0.78 ALDH1A1 (0.52) ALDH1A1HPGDKEAP1CYP3A4TSHR
SCHEMBL29418125 0.78 ALDH1A1 (0.52) ALDH1A1HPGDKEAP1CYP3A4TSHR
SCHEMBL9890847 0.78 ALOX5 (0.56) ALOX5PARP14ALDH1A1HPGDGPR3
SCHEMBL124836 0.78 ALOX5 (0.47) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL12338207 0.78 ALOX5 (0.43) ALOX5PARP14ALDH1A1HPGDCYP3A4
SCHEMBL17851630 0.77 PARP14 (0.39) ALOX5PARP14ALDH1A1GPR3PRKDC

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-20230200219-A1 A compound, an organic electroluminescent device and a display device BEIJING ETERNAL MATERIAL TECHNOLOGY CO., LTD (CN) 2023-06-22 US disclosed
US-20230200219-A1 A compound, an organic electroluminescent device and a display device BEIJING ETERNAL MATERIAL TECHNOLOGY CO., LTD (CN) 2023-06-22 US disclosed
WO-2021121230-A1 COMPOUND, APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME 北京鼎材科技有限公司 2021-06-24 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-20230200219-A1 A compound, an organic electroluminescent device and a display device L1CAM, VDAC2, CD274 ALOX5 1763/4885PARP14 714/4885ALDH1A1 125/4885

“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.