SCHEMBL21173499

SCHEMBL21173499

Cc1ccc(C(C)(C)C)c(N(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
TSHR P16473 4/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B1 P14061 4/20 0.33
HSD17B2 P37059 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL20909917 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL20457524 0.81 ACP1 (0.36) ALDH1A1SMN1; SMN2TSHRCYP1A2CYP2A6
SCHEMBL13166889 0.78 CYP1A2 (0.41) ALDH1A1SMN1; SMN2CA2TYRTSHR
SCHEMBL24497497 0.77 NPSR1 (0.37) ALDH1A1POLBTSHRPTGS1PTGS2
SCHEMBL5641724 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRCYP1A2CYP2A6
SCHEMBL26511214 0.74 PTGS1 (0.31) PTGS1PTGS2HTTL3MBTL1
SCHEMBL17594923 0.74 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL18490922 0.74 KCNH2 (0.44) ALDH1A1TSHRALOX15LMNAGAA
SCHEMBL10183559 0.74 KIF11 (0.41) MEN1KMT2AGAA
SCHEMBL26631129 0.73 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159578-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-25 US disclosed
US-20190221375-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-07-18 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-20230159578-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, OPRD1, DRD3 ALDH1A1 710/4885SMN1; SMN2 4180/4885CA2 3492/4885

“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.