SCHEMBL20000741

SCHEMBL20000741

CC1(C)CC(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
GAA P10253 7/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
BLM P54132 2/20 0.40
ATM Q13315 2/20 0.40
HIF1A Q16665 2/20 0.40
GMNN O75496 1/20 0.40
GABBR2 O75899 1/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL17877394 0.88 ALDH1A1 (0.39) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL17877396 0.88 ALDH1A1 (0.39) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL19998061 0.87 TSHR (0.34) GAATSHRLMNAKDM4EKMT2A
SCHEMBL19677860 0.81 ALDH1A1 (0.51) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL17877397 0.80 MEN1 (0.33) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL17877388 0.80 GAA (0.38) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL20000742 0.79 GAA (0.37) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL19677849 0.79 ALDH1A1 (0.49) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL19677863 0.79 ALDH1A1 (0.49) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL17877404 0.78 GAA (0.38) ALDH1A1GAATSHRLMNAKDM4E

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 309/4885GAA 4709/4885TSHR 2358/4885

“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.