SCHEMBL18015200

SCHEMBL18015200

CCOc1ccc(C2=CCC(C)OC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
NAAA Q02083 1/20 0.39
PTGS2 P35354 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
FAAH O00519 1/20 0.33
PTGS1 P23219 1/20 0.33
FGFR2 P21802 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
TUBB1 Q9H4B7 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL18015192 0.82 FGFR2 (0.34) KDM1AFGFR2POLBMAPTTP53
SCHEMBL18006718 0.81 KDM1A (0.38) KDM1ANAAAPTGS2CCNT1CDK9
SCHEMBL18015236 0.79 KDM1A (0.33) KDM1AFGFR2NPC1TSHR
SCHEMBL18015194 0.78 KDM1A (0.32) KDM1AFGFR2
SCHEMBL19466421 0.76 KDM1A (0.41) KDM1ANAAAPTGS2CCNT1CDK9
SCHEMBL18015206 0.74 CPS1 (0.35) PTGS2L3MBTL1MAPTKDM4EMEN1
SCHEMBL17070702 0.74 KDM1A (0.42) KDM1ANAAAPTGS2CCNT1CDK9
SCHEMBL18015204 0.74 FGFR2 (0.32) KDM1AFGFR2GRM2
SCHEMBL9484876 0.73 L3MBTL1 (0.53) KDM1ANAAAPTGS2FAAHPTGS1
SCHEMBL17348660 0.73 KDM1A (0.43) KDM1ANAAAPTGS2FAAHPTGS1

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-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-08-11 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-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, ZKSCAN2, ZRANB2 KDM1A 1810/4885NAAA 4555/4885PTGS2 1318/4885

“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.