SCHEMBL19998064

SCHEMBL19998064

Cc1c(C(C)(C)C)cc(CCc2ccc(C3CC(C)(C)NC(C)(C)C3)cc2)cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 2/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL20000742 0.88 GAA (0.37) ALDH1A1NPSR1GAAKMT2AKDM4E
SCHEMBL16749147 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1GAAKMT2AKDM4E
SCHEMBL16749144 0.78 ALDH1A1 (0.38) ALDH1A1NPSR1GAAKMT2AKDM4E
SCHEMBL19998061 0.78 TSHR (0.34) GAAKMT2AKDM4ELMNA
SCHEMBL20126288 0.73 SPHK1 (0.52) ALDH1A1KDM4ELMNA
SCHEMBL16749146 0.73 ALDH1A1 (0.36) ALDH1A1NPSR1GAAKMT2AKDM4E
SCHEMBL18539827 0.73
SCHEMBL16749046 0.72 KDM1A (0.42) ALDH1A1NPSR1GAAKMT2AKDM4E
SCHEMBL18931609 0.72 ALDH1A1 (0.34) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL20126102 0.72 NISCH (0.39) ALDH1A1NPSR1GAAKMT2AKDM4E

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-20180086981-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY DEVICE INCLUDING THE SAME TCL CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 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 (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-20180086981-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY DEVICE INCLUDING THE SAME CNOT1, CXCR1, CCRL2 ALDH1A1 309/4885NPSR1 2962/4885GAA 4709/4885

“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.