SCHEMBL13601605

SCHEMBL13601605

Bc1cccc(C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AXL P30530 1/20 0.34
KIF11 P52732 1/20 0.34
HSD11B1 P28845 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
NOTUM Q6P988 1/20 0.34
EPHX2 P34913 1/20 0.34
KAT6A Q92794 1/20 0.34
CTSS P25774 1/20 0.33
P2RX7 Q99572 1/20 0.33
KDM1A O60341 1/20 0.33
PDE2A O00408 1/20 0.33
CES1 P23141 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL7601747 0.82 MPL (0.46) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL30863576 0.77 ALDH1A1 (0.43) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL728455 0.77 ALDH1A1 (0.43) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL13601607 0.76 HSD11B1 (0.40) IDO1ALDH1A1POLBTDP1L3MBTL1
Water SCHEMBL27581485 0.75 ALDH1A1 (0.41) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL29551965 0.75 HSD11B1 (0.47) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL448487 0.75 HSD11B1 (0.47) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL23324839 0.74 CA2 (0.39) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL21303635 0.74 ALDH1A1 (0.39) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL28918929 0.73 IDO1 (0.43) MPLIDO1TDO2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094390-B Method for producing polyols 陶氏环球技术有限责任公司 2023-06-20 CN disclosed
CN-111225938-B Method for producing surfactants and lubricants 陶氏环球技术有限责任公司 2023-06-16 CN disclosed
CN-111263785-B Lewis acid polymerization catalyst 陶氏环球技术有限责任公司 2023-06-09 CN disclosed
CN-111263784-B Method for producing polyols 陶氏环球技术有限责任公司 2023-05-12 CN disclosed
EP-3681932-A1 LEWIS ACID POLYMERIZATION CATALYST Dow Global Technologies LLC (US) 2020-07-22 EP disclosed
CN-111263785-A Lewis acid polymerization catalysts 陶氏环球技术有限责任公司 2020-06-09 CN disclosed
CN-111263784-A Process for producing polyol 陶氏环球技术有限责任公司 2020-06-09 CN disclosed
CN-111225938-A Process for making surfactants and lubricants 陶氏环球技术有限责任公司 2020-06-02 CN disclosed
CN-111094390-A Process for producing polyol 陶氏环球技术有限责任公司 2020-05-01 CN disclosed
WO-2019055740-A1 LEWIS ACID POLYMERIZATION CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-21 WO disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 MPL 217/4885IDO1 89/4885TDO2 2035/4885

“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.