SCHEMBL13601607

SCHEMBL13601607

Bc1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 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
P2RX7 Q99572 1/20 0.33
CES1 P23141 1/20 0.33
CNR2 P34972 1/20 0.33
IDO1 P14902 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.32
PNMT P11086 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
PDK2 Q15119 1/20 0.32
LMNA P02545 2/20 0.31

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
SCHEMBL2000756 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1POLBTDP1L3MBTL1
Lithium SCHEMBL5691154 0.79 HSD11B1 (0.44) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL30863576 0.77 ALDH1A1 (0.43) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL728455 0.77 ALDH1A1 (0.43) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL13601605 0.76 MPL (0.40) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL14435315 0.76 TRPA1 (0.35) P2RX7CES1
Water SCHEMBL27581485 0.75 ALDH1A1 (0.41) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL6067687 0.75 HSD11B1 (0.55) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL20150821 0.74 AR (0.36) HSD11B1ALDH1A1CA2PDK2HTT
SCHEMBL23324839 0.74 CA2 (0.39) ALDH1A1POLBTDP1L3MBTL1AXL

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
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-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
WO-2020130143-A1 DENTAL ADHESIVE COMPOSITION クラレノリタケデンタル株式会社 2020-06-25 WO 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-111094390-A Process for producing polyol 陶氏环球技术有限责任公司 2020-05-01 CN 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 HSD11B1 2424/4885ALDH1A1 2990/4885POLB 4519/4885

“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.