SCHEMBL4596137

SCHEMBL4596137

C=CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
POLB P06746 2/20 1.00
RXFP1 Q9HBX9 1/20 1.00
CYP1B1 Q16678 16/20 0.67
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CRHBP P24387 1/20 0.62
MAPK1 P28482 1/20 0.62
CRHR2 Q13324 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
PABPC1 P11940 1/20 0.56
CASP3 P42574 1/20 0.56

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
Hydrochloric Acid SCHEMBL29265515 0.99 ALDH1A1 (0.97) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL10261574 0.83 CYP1B1 (0.77) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL11042478 0.82 ALDH1A1 (0.70) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL1001022 0.82 ALDH1A1 (0.70) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL31373095 0.80 CYP1B1 (1.00) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL2530062 0.80 CYP1B1 (1.00) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL22716942 0.79 ALDH1A1 (0.65) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL22717007 0.79 MEN1 (0.69) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL32685249 0.79 ALDH1A1 (0.65) ALDH1A1POLBRXFP1CYP1B1MEN1
SCHEMBL7328383 0.78 CYP1B1 (0.65) ALDH1A1POLBRXFP1CYP1B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112510158-A Novel OLED (organic light emitting diode) luminescent material for display equipment and preparation method thereof 李梦林 2021-03-16 CN claimed
CN-108321307-B Novel OLED (organic light emitting diode) luminescent material for display equipment and preparation method thereof 山西绿普光电新材料科技有限公司 2020-09-04 CN claimed
CN-108321307-A novel O L ED luminescent material for display equipment and preparation method thereof 芜湖博创新能源科技有限公司 2018-07-24 CN claimed
CN-116874423-A Aldehyde molecular probe and preparation method and application thereof 华纺股份有限公司 2023-10-13 CN disclosed
CN-116587687-A Electrothermal-stimulated hydrogel driver capable of cooperatively deforming and changing color, and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-08-15 CN disclosed
CN-111521601-B Application of ratio-type fluorescent polymer hydrogel in seafood freshness detection 中国科学院宁波材料技术与工程研究所 2022-01-25 CN disclosed
US-10982137-B1 Fluorescent dispersed particle gel, fluorescent gel and fluorescent modified polyacrylamide composite and preparation method and use thereof CHINA UNIVERSITY OF PETROLEUM (EAST CHINA) (CN) 2021-04-20 US disclosed
CN-112510158-A Novel OLED (organic light emitting diode) luminescent material for display equipment and preparation method thereof 李梦林 2021-03-16 CN disclosed
CN-112510158-A Novel OLED (organic light emitting diode) luminescent material for display equipment and preparation method thereof 李梦林 2021-03-16 CN disclosed
CN-111349192-B Fluorescent gel dispersion, fluorescent gel, fluorescent modified polyacrylamide composite material, and preparation method and application thereof 中国石油大学(华东) 2021-02-23 CN disclosed
CN-108321307-B Novel OLED (organic light emitting diode) luminescent material for display equipment and preparation method thereof 山西绿普光电新材料科技有限公司 2020-09-04 CN disclosed
US-20140200319-A1 FLUORESCENT POTASSIUM ION SENSORS Arizona Board of Regents, a body corporate of the State of Arizona Acting for and on behalf of Arizo (US) 2014-07-17 US disclosed
US-20140200319-A1 FLUORESCENT POTASSIUM ION SENSORS Arizona Board of Regents, a body corporate of the State of Arizona Acting for and on behalf of Arizo (US) 2014-07-17 US disclosed
WO-2012112440-A2 FLUORESCENT POTASSIUM ION SENSORS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2012-08-23 WO disclosed
EP-1878756-A1 Labeled tackifiers National Starch and Chemical Investment Holding Corporation (US) 2008-01-16 EP disclosed
EP-1878756-A1 Labeled tackifiers National Starch and Chemical Investment Holding Corporation (US) 2008-01-16 EP disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 US disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 US disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 US disclosed
CN-1916629-A Fluorescence carrier in use for preparing sensor in use for mensurating content of water in organic solvent UNIV HUNAN (CN) 2007-02-21 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-20140200319-A1 FLUORESCENT POTASSIUM ION SENSORS KCNN1, KCNN2, KCNN3 ALDH1A1 3959/4885POLB 4563/4885RXFP1 2130/4885

“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.