SCHEMBL443618

SCHEMBL443618

c1ccc(-c2ccc3ncccc3c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.84
POLB P06746 1/20 0.84
RAB9A P51151 1/20 0.84
DYRK1A Q13627 1/20 0.66
MCL1 Q07820 1/20 0.59
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
BACE1 P56817 1/20 0.55
CYP2A6 P11509 1/20 0.51
MET P08581 1/20 0.50

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
SCHEMBL12075055 1.00 NPC1 (0.84) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL30592751 1.00 NPC1 (0.84) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL17932553 0.93 NPC1 (0.72) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL30743 0.92 NPC1 (1.00) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL29757180 0.92 NPC1 (1.00) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL17945799 0.90 NPC1 (0.68) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL10051283 0.88 NPC1 (0.66) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL10051385 0.88 NPC1 (0.66) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL13682558 0.88 NPC1 (0.66) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL21249481 0.88 NPC1 (0.66) NPC1POLBRAB9ADYRK1AMCL1

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115054608-A Application of cryptotanshinone substances and combination composition thereof 澳门大学 2022-09-16 CN claimed
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US claimed
EP-2433121-A1 THERMALLY STABLE SERS TAGGANTS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US claimed
WO-2010135351-A1 THERMALLY STABLE SERS TAGGANTS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
US-4662996-A Method and electrochemical sensor for sensing chemical agents using a sensing elctrode coated with electrically conductive polymers HONEYWELL INC. (US) 1987-05-05 US claimed
CN-117229111-A Dehydroaromatization method for aryl cyclic hydrocarbon 五邑大学 2023-12-15 CN disclosed
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
EP-4234539-A1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL Novaled GmbH (DE) 2023-08-30 EP disclosed
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
EP-3524593-B1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL NOVALED GMBH (DE) 2023-04-12 EP disclosed
US-20230054166-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-23 US disclosed
CN-113717098-B Method for synthesizing tetrahydroquinoline compound by selectively catalyzing and hydrogenating quinoline compound with non-hydrogen 延安大学 2023-02-03 CN disclosed
US-4761403-A QUINOLONE DERIVATIVES ABBOTT LABORATORIES (US) 1988-08-02 US disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0240859-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1987-10-14 EP disclosed
US-4670377-A VINYLSULFONE HARDENER, SENSITIZING DYES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-06-02 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (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-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM NPC1 1759/4885POLB 1659/4885RAB9A 1514/4885
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, ESR1, EPCAM NPC1 2161/4885POLB 1138/4885RAB9A 2813/4885
US-20230054166-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE L1CAM, INF2, LSM12 NPC1 2888/4885POLB 1859/4885RAB9A 2069/4885

“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.