SCHEMBL9945914

SCHEMBL9945914

CC(=O)c1cc(C)cc(C(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
ABCB1 P08183 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13640224 0.82 GAA (0.46) GAAHTTLMNA
SCHEMBL27102751 0.79 GAA (0.36) GAAHTTKCNK3KCNK9FABP3
SCHEMBL10339001 0.76 LMNA (0.53) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL20636510 0.75 LMNA (0.42) GAATRPA1LMNACHRM1SLC6A2
SCHEMBL13596324 0.74 KDM4E (0.47) SMN1; SMN2LMNAKDM4E
SCHEMBL12418387 0.72 CA5A (0.44) GAAHTTTRPA1LMNACHRM1
SCHEMBL16963636 0.72 ACHE (0.56) SMN1; SMN2HTTTRPA1ALOX15ALOX12
SCHEMBL9945912 0.72 GABRA1 (0.45) SMN1; SMN2LMNASLC6A2HTR2BKCNK3
SCHEMBL24800882 0.71 MYC (0.43) SMN1; SMN2GAAKDM4E
SCHEMBL18309171 0.71 FABP3 (0.45) SMN1; SMN2GAAFABP3FABP4ALOX15

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 SMN1; SMN2 3273/4885GAA 3822/4885HTT 808/4885

“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.