SCHEMBL21667461

SCHEMBL21667461

c1cc(-c2ccc3ccccc3c2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.59
HSD17B2 P37059 2/20 0.59
CYP17A1 P05093 1/20 0.55
CYP19A1 P11511 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
ESR1 P03372 5/20 0.52
ESR2 Q92731 5/20 0.52
CYP1A2 P05177 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX5 P09917 1/20 0.50
SIRT2 Q8IXJ6 3/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 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
SCHEMBL21667606 1.00 HSD17B1 (0.59) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL22186308 1.00 HSD17B1 (0.59) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL24353250 1.00 HSD17B1 (0.59) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL24353249 0.96 MEN1 (0.56) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL24353200 0.96 HSD17B1 (0.55) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL24353251 0.96 HSD17B1 (0.55) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL24377037 0.96 HSD17B1 (0.55) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL24353205 0.96 MEN1 (0.56) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL24377159 0.96 HSD17B1 (0.55) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL24377096 0.96 HSD17B1 (0.55) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1

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-20230139032-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-05-04 US disclosed
US-20230139032-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-05-04 US disclosed
US-20230140609-A1 ORGANIC MATERIAL COMPOSITION AND APPLICATIONS THEREOF NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-05-04 US disclosed
US-20230140609-A1 ORGANIC MATERIAL COMPOSITION AND APPLICATIONS THEREOF NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-05-04 US disclosed
US-20220052271-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-02-17 US disclosed
US-20210359216-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-11-18 US disclosed
US-20210305519-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-09-30 US disclosed
US-20210296595-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-09-23 US disclosed
US-20200212310-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-07-02 US disclosed
WO-2020027444-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-06 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 (3 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-20230140609-A1 ORGANIC MATERIAL COMPOSITION AND APPLICATIONS THEREOF PIEZO1, VCL, VDAC3 HSD17B1 3369/4885HSD17B2 3167/4885CYP17A1 1558/4885
US-20230139032-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME NECTIN4, L1CAM, EPHA6 HSD17B1 4862/4885HSD17B2 4822/4885CYP17A1 4716/4885
US-20200212310-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SOD1, TRPA1, LPO HSD17B1 4358/4885HSD17B2 4452/4885CYP17A1 4380/4885

“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.