SCHEMBL19990153

SCHEMBL19990153

Nc1cc(Oc2c(F)c(F)c(F)c(F)c2-c2cc(F)c(F)c(F)c2F)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSD17B10 Q99714 3/20 0.32
NR4A1 P22736 1/20 0.32
ALOX15 P16050 2/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6852477 0.84 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL6856738 0.82 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL28464375 0.81 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL7719544 0.81 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL28336685 0.79 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL6849207 0.73 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL6853365 0.71 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL6854236 0.71 HSD17B10 (0.41) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL4622978 0.70 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL29935746 0.70 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-17 US disclosed
US-9981914-B2 2018-05-29 US disclosed
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 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-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 ALDH1A1 3686/4885MAPT 2522/4885SMN1; SMN2 4063/4885
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element SLC9A2, SLC9A1, NHERF1 ALDH1A1 3686/4885MAPT 2522/4885SMN1; SMN2 4063/4885

“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.