SCHEMBL19793353

SCHEMBL19793353

CCCCOc1ccc(Br)c(C=O)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ERN1 O75460 1/20 0.43
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10019788 0.86 LMNA (0.51) GAATDP1L3MBTL1ERN1MEN1
SCHEMBL878717 0.84 L3MBTL1 (0.52) GAATDP1L3MBTL1KDM4EMEN1
SCHEMBL34473990 0.81 ERN1 (0.44) L3MBTL1ERN1LMNAALDH1A1MAPT
SCHEMBL7911521 0.80 CYP1A2 (0.42) GAATDP1L3MBTL1KDM4EMEN1
SCHEMBL29479209 0.80 CYP1A2 (0.42) GAATDP1L3MBTL1KDM4EMEN1
SCHEMBL2240164 0.80 ERN1 (0.47) L3MBTL1ERN1KDM4EMEN1KMT2A
SCHEMBL13752652 0.78 ERN1 (0.53) GAATDP1L3MBTL1ERN1LMNA
SCHEMBL16693848 0.77 GAA (0.46) GAATDP1L3MBTL1ERN1KDM4E
SCHEMBL10019609 0.77 ERN1 (0.37) ERN1LMNAALDH1A1MAPTHPGD
SCHEMBL565717 0.77 ERN1 (0.64) L3MBTL1ERN1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022998-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (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 (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-20180022998-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, NLRP1, PYCARD GAA 4159/4885TDP1 1259/4885L3MBTL1 1711/4885

“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.