SCHEMBL13596183

SCHEMBL13596183

CC1CCc2ccc(OCC(=O)N(C)C)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
PDK2 Q15119 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL13072256 0.84 ACHE (0.46) ACHECA1CA2HSD17B10SMN1; SMN2
SCHEMBL17373183 0.84 ADRB3 (0.53) ACHEHSD17B10ALOX15TSHRKDM4E
SCHEMBL14503094 0.83 GLA (0.48) ACHECA1CA2HSD17B10ALOX15
Acetic Acid SCHEMBL7586109 0.83 ACHE (0.63) ACHECA1CA2HSD17B10SMN1; SMN2
Acetic Acid SCHEMBL7586095 0.83 ACHE (0.63) ACHECA1CA2HSD17B10SMN1; SMN2
SCHEMBL5145659 0.81 ACHE (0.58) ACHECA1CA2HSD17B10SMN1; SMN2
SCHEMBL3082438 0.76 HRH3 (0.58)
SCHEMBL7591102 0.75 ACHE (0.55) ACHECA1CA2SMN1; SMN2TSHR
SCHEMBL7591096 0.75 ACHE (0.55) ACHECA1CA2SMN1; SMN2TSHR
SCHEMBL20342343 0.75 ACHE (0.52) ACHECA1CA2MTNR1AMTNR1B

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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 ACHE 852/4885CA1 4820/4885CA2 4051/4885

“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.