SCHEMBL25301802

SCHEMBL25301802

Nc1ccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.79
CYP3A4 P08684 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
TAAR1 Q96RJ0 2/20 0.79
ALDH1A1 P00352 7/20 0.58
TP53 P04637 1/20 0.58
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
HPGD P15428 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
MAOA P21397 1/20 0.48

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
SCHEMBL28164997 1.00 HSD17B10 (0.79) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL30416624 1.00 HSD17B10 (0.79) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL9217300 0.97 HSD17B10 (0.74) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL20714939 0.95 HSD17B10 (0.70) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL29610489 0.95 HSD17B10 (0.70) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL30208583 0.95 HSD17B10 (0.68) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL29118206 0.95 HSD17B10 (0.68) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL9246341 0.92 HSD17B10 (0.63) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL13941274 0.89 HSD17B10 (0.60) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL29948076 0.89 HSD17B10 (0.60) HSD17B10CYP3A4TDP1TAAR1ALDH1A1

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-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
CN-114555579-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2022-05-27 CN 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-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, ELAVL1 HSD17B10 2996/4885CYP3A4 1844/4885TDP1 2257/4885

“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.