SCHEMBL745377

SCHEMBL745377

O=C1C(=O)c2cc(I)ccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 11/20 0.59
S100A4 P26447 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
APAF1 O14727 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 3/20 0.59
GALK1 P51570 3/20 0.59
BLM P54132 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
TDP2 O95551 2/20 0.59
PLA2G1B P04054 2/20 0.59
POLB P06746 2/20 0.59
PLCG1 P19174 2/20 0.59
PPARG P37231 2/20 0.59
ATG4B Q9Y4P1 2/20 0.59
BCHE P06276 2/20 0.59

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
SCHEMBL1795673 0.95 MEN1 (0.55) PTPRCS100A4NPC1RAB9ASMN1; SMN2
SCHEMBL6449287 0.93 MEN1 (0.57) PTPRCS100A4NPC1RAB9ASMN1; SMN2
SCHEMBL14838621 0.91 MEN1 (0.55) PTPRCS100A4NPC1RAB9ASMN1; SMN2
SCHEMBL1963896 0.91 S100A4 (0.50) PTPRCS100A4NPC1RAB9ASMN1; SMN2
SCHEMBL16267346 0.85 MAOA (0.50) PTPRCS100A4NPC1RAB9ASMN1; SMN2
SCHEMBL1795929 0.85 TGM2 (0.50) PTPRCS100A4NPC1RAB9ASMN1; SMN2
SCHEMBL25227687 0.83 PTPRC (0.39) PTPRCS100A4NPC1RAB9ASMN1; SMN2
SCHEMBL27896043 0.83 PTPRC (0.39) PTPRCS100A4NPC1RAB9ASMN1; SMN2
SCHEMBL21224167 0.80 TGM2 (0.50) PTPRCNPC1RAB9ASMN1; SMN2MEN1
9,10-Phenanthrenequinone SCHEMBL43050 0.77 MEN1 (1.00) PTPRCS100A4NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183872-A1 ELECTROCHEMICALLY MEDIATED GAS CAPTURE, INCLUDING FROM LOW CONCENTRATION STREAMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 US disclosed
US-20230183872-A1 ELECTROCHEMICALLY MEDIATED GAS CAPTURE, INCLUDING FROM LOW CONCENTRATION STREAMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 US disclosed
US-20210242452-A1 Rechargeable Aluminum Organic Batteries SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2021-08-05 US disclosed
US-20210062351-A1 ELECTROCHEMICALLY MEDIATED GAS CAPTURE, INCLUDING FROM LOW CONCENTRATION STREAMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-04 US disclosed
US-10761045-B2 Sensor, sensor system, method of manufacturing sensor, and method of measuring concentration of target substance PHC HOLDINGS CORPORATION (JP) 2020-09-01 US disclosed
US-10571424-B2 Sensor, sensor system, method of manufacturing sensor, and method of measuring concentration of target substance PHC HOLDINGS CORPORATION (JP) 2020-02-25 US disclosed
US-10164258-B2 Fused-ring quinone-substituted polynorbornene, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2018-12-25 US disclosed
US-9985218-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-29 US disclosed
US-9985218-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-29 US disclosed
US-9985218-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-29 US disclosed
WO-2007090773-A1 NOVEL POLYMERS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP 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-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 (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-20210242452-A1 Rechargeable Aluminum Organic Batteries NQO1, BLM, RECQL PTPRC 4218/4885S100A4 293/4885NPC1 3573/4885

“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.