SCHEMBL25301803

SCHEMBL25301803

Nc1ccc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.61
CYP3A4 P08684 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
TAAR1 Q96RJ0 2/20 0.61
MAOA P21397 1/20 0.54
ALDH1A1 P00352 8/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 3/20 0.47
PTPRC P08575 2/20 0.47
ALOX12 P18054 2/20 0.47
HTT P42858 2/20 0.47
NCOA1 Q15788 2/20 0.47

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
SCHEMBL29830590 1.00 HSD17B10 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL21582646 1.00 HSD17B10 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL29658028 1.00 HSD17B10 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL5459730 0.98 CYP3A4 (0.65) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL30670342 0.98 CYP3A4 (0.65) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL29458681 0.98 CYP3A4 (0.65) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL650894 0.95 CYP3A4 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL116465 0.95 CYP3A4 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL29372308 0.95 CYP3A4 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA
SCHEMBL5852606 0.95 HSD17B10 (0.61) HSD17B10CYP3A4TDP1TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-08-03 US disclosed
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-08-03 US disclosed
US-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-20 US disclosed
EP-4043431-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2022-08-17 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-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, ELAVL1 HSD17B10 2996/4885CYP3A4 1844/4885TDP1 2257/4885
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, NR1D1 HSD17B10 991/4885CYP3A4 762/4885TDP1 4037/4885

“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.