SCHEMBL19795478

SCHEMBL19795478

CCCOc1c(F)c(F)cc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 4/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HPGD P15428 2/20 0.35
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
MAPK1 P28482 1/20 0.33
HTR2A P28223 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32

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
SCHEMBL1582737 0.89 ALDH1A1 (0.40) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL1582904 0.85 THRA (0.41) TP53TLR4
SCHEMBL12256272 0.85 THRA (0.41) TP53TLR4
SCHEMBL12256271 0.85 THRA (0.41) TP53TLR4
SCHEMBL1583196 0.85 THRA (0.41) TP53TLR4
SCHEMBL1582596 0.85 THRA (0.41) TP53TLR4
SCHEMBL1582622 0.85 THRA (0.41) TP53TLR4
SCHEMBL4779552 0.85 THRA (0.41) TP53TLR4
Cyanide SCHEMBL28063164 0.82 PLA2G2A (0.38) ALDH1A1MAPTHTTKDM4ETLR4
SCHEMBL4753814 0.81 ALDH1A1 (0.39) ALDH1A1MAPTHTTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-11333975-B2 Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-05-17 US disclosed
US-20210317268-A1 POLYMER, PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING METHOD, METHOD OF FORMING CURED FILM, INTERLAYER INSULATING FILM, SURFACE PROTECTIVE FILM, AND ELECTRONIC COMPONENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-10-14 US disclosed
US-10907142-B2 Oligosaccharides comprising an aminooxy group and conjugates thereof GENZYME CORPORATION (US) 2021-02-02 US disclosed
US-20180024434-A1 TETRACARBOXYLIC ACID DIESTER COMPOUND, POLYIMIDE PRECURSOR POLYMER AND METHOD FOR PRODUCING THE SAME, NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING PROCESS, AND METHOD FOR FORMING CURED FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-01-25 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 (2 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-10907142-B2 Oligosaccharides comprising an aminooxy group and conjugates thereof MAN2B1, MAN1B1, GAA ALDH1A1 3254/4885MAPT 2096/4885HTT 901/4885
US-20180024434-A1 TETRACARBOXYLIC ACID DIESTER COMPOUND, POLYIMIDE PRECURSOR POLYMER AND METHOD FOR PRODUCING THE SAME, NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING PROCESS, AND METHOD FOR FORMING CURED FILM F12, RTF1, PUF60 ALDH1A1 2329/4885MAPT 602/4885HTT 1991/4885

“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.