SCHEMBL4455809

SCHEMBL4455809

FC(F)(F)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TSHR P16473 1/20 0.59
KIF11 P52732 2/20 0.56
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 1/20 0.50
HAO1 Q9UJM8 1/20 0.47
TRPV6 Q9H1D0 1/20 0.47
LRRK2 Q5S007 1/20 0.45
GRM5 P41594 1/20 0.45
HTR1A P08908 1/20 0.45
HTR3A P46098 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PTGIR P43119 1/20 0.42
MLYCD O95822 1/20 0.42
BACE1 P56817 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2417142 0.90 HAO1 (0.53) ALDH1A1TSHRKIF11SLC6A2SLC6A4
SCHEMBL23059785 0.88 ALDH1A1 (0.46) ALDH1A1TSHRKIF11SLC6A2SLC6A4
Fluoride SCHEMBL29094698 0.87 HAO1 (0.52) ALDH1A1TSHRKIF11SLC6A2SLC6A4
SCHEMBL11664820 0.83 XBP1 (0.51) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL22175298 0.81 SLC6A4 (0.44) ALDH1A1TSHRKIF11SLC6A2SLC6A4
SCHEMBL7938569 0.81 HAO1 (0.47) ALDH1A1TSHRKIF11SLC6A2SLC6A4
SCHEMBL27589778 0.80 SLC6A2 (0.54) ALDH1A1TSHRKIF11SLC6A2SLC6A4
SCHEMBL10927014 0.80 ALDH1A1 (0.52) ALDH1A1TSHRKIF11SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL10440024 0.80 SLC6A4 (0.54) ALDH1A1TSHRKIF11SLC6A2SLC6A4
SCHEMBL7943862 0.79 HAO1 (0.50) KIF11SLC6A2SLC6A4SLC6A3HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195176-A1 PROCESSES AND AGENTS FOR GLAUCOMA AUFBAU MEDICAL INNOVATIONS LIMITED (IE) 2021-09-30 WO disclosed
US-20170003591-A1 MANUFACTURING METHOD FOR ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANK COMPRISING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PHOTO MASK, FORMING METHOD FOR PATTERN, MANUFACTURING METHOD FOR ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-01-05 US disclosed
US-20150147688-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, MANUFACTURING METHOD OF ELECTRONIC DEVICE USING THE SAME, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-05-28 US disclosed
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
EP-1988779-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2008-11-12 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 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 (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-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS SCO2, CYCS, NCLN ALDH1A1 4680/4885TSHR 3710/4885KIF11 4301/4885

“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.