SCHEMBL18647777

SCHEMBL18647777

c1ccc(-c2ccc(Nc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.38
▸ STK10 O94804 1/20 0.37
▸ SLK Q9H2G2 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL25274031 0.90 PDK2 (0.40) PDK2ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL30257740 0.90 PDK2 (0.40) PDK2ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL24646393 0.90 FABP3 (0.38) PDK2STK10SLKALDH1A1HSD17B10
SCHEMBL20935632 0.87 AKR1C3 (0.37) PDK2STK10SLKALDH1A1HSD17B10
SCHEMBL25556439 0.87 THRB (0.41) PDK2ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL28738480 0.86 ALDH1A1 (0.39) PDK2STK10SLKALDH1A1HSD17B10
SCHEMBL29638156 0.86 ALDH1A1 (0.39) PDK2STK10SLKALDH1A1HSD17B10
SCHEMBL14681538 0.86 AKR1C3 (0.39) PDK2STK10SLKALDH1A1HSD17B10
SCHEMBL29839680 0.86 AKR1C3 (0.39) PDK2STK10SLKALDH1A1HSD17B10
SCHEMBL20434444 0.84 AKR1C3 (0.40) PDK2STK10SLKALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581491-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 — — US disclosed
US-11302870-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2022-04-12 — — US disclosed
US-10961230-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-03-30 — — US disclosed
EP-3347354-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-17 — — EP disclosed
US-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 — — US disclosed
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-19 — — US disclosed
US-20190119260-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-04-25 — — US disclosed
WO-2017041874-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-03-16 — — 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 (6 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-10961230-B2 Materials for organic electroluminescent devices DDT, PNMT, INMT PDK2 778/4885STK10 3783/4885SLK 3749/4885
US-11302870-B2 Materials for electronic devices EFNA1, PNMT, FLNB PDK2 866/4885STK10 3152/4885SLK 3594/4885
US-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT PDK2 951/4885STK10 3480/4885SLK 3862/4885
US-11581491-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM PDK2 970/4885STK10 2681/4885SLK 3375/4885
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, PNMT, FLNB PDK2 833/4885STK10 3153/4885SLK 3573/4885
US-20190119260-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, PNMT, INMT PDK2 778/4885STK10 3783/4885SLK 3749/4885

“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.

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