SCHEMBL9893478

SCHEMBL9893478

CC(C)c1ccc(N2[C]N(c3ccc(C(C)C)cc3C(C)C)CC2)c(C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HTT P42858 2/20 0.32
CRHR1 P34998 2/20 0.32
FABP3 P05413 2/20 0.32
FABP4 P15090 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HIF1A Q16665 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
SCHEMBL9893479 0.76 PTGS1 (0.36) NR1H3PDK1PDK2PDK3PDK4
SCHEMBL9893452 0.76 GABRA1 (0.41) NR1H3PDK1PDK2PDK3PDK4
SCHEMBL14200170 0.74 ALDH1A1 (0.46) ALDH1A1HTTGAAKMT2A
SCHEMBL14200387 0.72 NPC1 (0.44) LMNAHPGDALDH1A1CRHR1GAA
SCHEMBL20883739 0.72 ADRB1 (0.46) LMNA
SCHEMBL1076307 0.72 HPGD (0.32) HPGDMEN1KMT2A
SCHEMBL1076305 0.72 HPGD (0.32) HPGDMEN1KMT2A
SCHEMBL28045649 0.70 ALDH1A1 (0.38) NR1H3LMNAHPGDGABRA1GABRB2
SCHEMBL14200403 0.70 GAA (0.47) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL14200375 0.69 HTR7 (0.43) ALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149840-A1 PROCESS FOR PRODUCING AN AQUEOUS POLYMER DISPERSION Univ. of Southern Mississippi Res. Foundation (US) 2012-06-14 US claimed
US-20120208959-A1 METHOD FOR PRODUCING AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2012-08-16 US disclosed
US-20120149840-A1 PROCESS FOR PRODUCING AN AQUEOUS POLYMER DISPERSION Univ. of Southern Mississippi Res. Foundation (US) 2012-06-14 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-20120149840-A1 PROCESS FOR PRODUCING AN AQUEOUS POLYMER DISPERSION PUF60, PARG, ACMSD NR1H3 4541/4885PDK1 527/4885PDK2 804/4885

“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.