SCHEMBL21099252

SCHEMBL21099252

O=C1c2cccc3cccc(c23)C(=O)N1I

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.63
FEN1 P39748 1/20 0.63
ERCC4 Q92889 1/20 0.63
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 5/20 0.57
HPGD P15428 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HSD17B10 Q99714 3/20 0.57
CYP1B1 Q16678 1/20 0.57
CES2 O00748 1/20 0.56
BCHE P06276 1/20 0.56
CES1 P23141 1/20 0.56
MCL1 Q07820 1/20 0.56
HEXA P06865 4/20 0.53
HEXB P07686 4/20 0.53
TYMS P04818 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL19605732 0.81 ERCC1 (0.43) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL27752410 0.79 ERCC1 (0.65) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL21921317 0.78 POLB (0.43) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL487827 0.78 POLB (0.48) KDM4EMEN1KMT2ACES2BCHE
SCHEMBL24453236 0.77 ERCC1 (0.63) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL6734026 0.77 ERCC1 (0.63) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL29410043 0.77 ERCC1 (1.00) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL4604913 0.77 MPO (0.70) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL29089232 0.77 ERCC1 (0.63) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL862546 0.77 ERCC1 (0.63) ERCC1FEN1ERCC4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11545691-B2 Redox flow battery BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-01-03 US disclosed
CN-115433066-A Iodine-substituted bioorthogonal enhanced fluorescent probe and preparation method and application thereof 中国医学科学院药物研究所 2022-12-06 CN disclosed
US-11278482-B2 Process for dyeing keratin materials using at least one blue, purple or green dye and at least one disulfide, thiol or protected thiol fluorescent dye L'OREAL (FR) 2022-03-22 US disclosed
US-20200337973-A1 FLUORESCENT DIRECT DYE BEARING AN ALIPHATIC CHAIN AND A DISULFIDE/THIOL/PROTECTED-THIOL FUNCTION FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2020-10-29 US disclosed
US-20200179255-A1 PROCESS FOR DYEING KERATIN MATERIALS USING AT LEAST ONE BLUE, PURPLE OR GREEN DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED THIOL FLUORESCENT DYE L'OREAL (FR) 2020-06-11 US disclosed
US-20200136165-A1 REDOX FLOW BATTERY BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-04-30 US disclosed
US-20200100999-A1 PROCESS FOR DYEING KERATIN FIBRES USING AT LEAST ONE DIRECT DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED-THIOL FLUORESCENT DYE L'OREAL (FR) 2020-04-02 US disclosed
WO-2019118124-A1 FUEL COMPOSITIONS CONTAINING DETERGENTS DERIVED FROM ETHYLENE-ALPHA OLEFIN COPOLYMERS AFTON CHEMICAL CORPORATION (US) 2019-06-20 WO disclosed
WO-2019118549-A1 LUBRICANT COMPOSITIONS COMPRISING OLEFIN COPOLYMER DISPERSANTS IN COMBINATION WITH ADDITIVES AFTON CHEMICAL CORPORATION (US) 2019-06-20 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-20200337973-A1 FLUORESCENT DIRECT DYE BEARING AN ALIPHATIC CHAIN AND A DISULFIDE/THIOL/PROTECTED-THIOL FUNCTION FOR DYEING KERATIN MATERIALS KRT18, TST, TUBA1C ERCC1 1061/4885FEN1 2513/4885ERCC4 1686/4885
US-11545691-B2 Redox flow battery NOX4, CYBB, SOD1 ERCC1 1560/4885FEN1 856/4885ERCC4 556/4885
US-20200136165-A1 REDOX FLOW BATTERY NOX4, CYBB, SOD1 ERCC1 1560/4885FEN1 856/4885ERCC4 556/4885
US-20200179255-A1 PROCESS FOR DYEING KERATIN MATERIALS USING AT LEAST ONE BLUE, PURPLE OR GREEN DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED THIOL FLUORESCENT DYE KRT18, IK, CUTA ERCC1 1297/4885FEN1 3938/4885ERCC4 1338/4885
US-11278482-B2 Process for dyeing keratin materials using at least one blue, purple or green dye and at least one disulfide, thiol or protected thiol fluorescent dye KRT18, IK, CUTA ERCC1 1297/4885FEN1 3938/4885ERCC4 1338/4885
US-20200100999-A1 PROCESS FOR DYEING KERATIN FIBRES USING AT LEAST ONE DIRECT DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED-THIOL FLUORESCENT DYE KRT18, PDIA5, DSG1 ERCC1 501/4885FEN1 2229/4885ERCC4 562/4885

“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.