SCHEMBL18876191

SCHEMBL18876191

Cn1ccc2cc(C(C)(C)C)cc(C#N)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
GRM2 Q14416 1/20 0.31
KCNH2 Q12809 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1G2 P78368 1/20 0.31
NPC1 O15118 1/20 0.31
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRK1 P41145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FNTA P49354 1/20 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
SCHEMBL18876185 0.80 XDH (0.50) XDHKDM4EMAPTHPGDALDH1A1
SCHEMBL21725650 0.78 XDH (0.46) XDHKDM4EGRM2ALDH1A1IMPDH2
SCHEMBL16626051 0.78 POLB (0.38) KDM4EKCNH2NPC1
SCHEMBL19499088 0.76 KCNH2 (0.34) KCNH2HSP90AA1
SCHEMBL18876179 0.75 GRM2 (0.35) KDM4EMAPTHTTHPGDGRM2
SCHEMBL18876125 0.75 KCNH2 (0.40) KCNH2
SCHEMBL18876155 0.74 XDH (0.43) XDHHPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL18876189 0.74 XDH (0.43) XDHKDM4EMAPTHPGDGRM2
SCHEMBL30790881 0.72 XDH (0.56) XDHHPGDALDH1A1
SCHEMBL17069069 0.70 XDH (0.39) XDHKDM4EMAPTHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 XDH 2095/4885KIF11 1135/4885KDM4E 2427/4885

“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.