SCHEMBL15345915

SCHEMBL15345915

CCC(=O)c1cc2cc(CCC(C)C)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
TAS1R3 Q7RTX0 9/20 0.44
TAS1R1 Q7RTX1 9/20 0.44
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9217574 0.87 LMNA (0.61) LMNATP53IKBKETBK1TAS1R3
SCHEMBL9216346 0.84 CA12 (0.51) LMNATP53TAS1R3TAS1R1ALDH1A1
SCHEMBL9211966 0.78 HPGD (0.50) TAS1R3TAS1R1HPGDSMN1; SMN2
SCHEMBL12319491 0.77 DYRK1A (0.41) LMNATP53IKBKETBK1TAS1R3
SCHEMBL1602396 0.75 KDM4E (0.46) LMNATP53IKBKETBK1TAS1R3
SCHEMBL8034219 0.75 TAS1R3 (0.59) LMNATP53TAS1R3TAS1R1ALDH1A1
SCHEMBL24173779 0.74 TSHR (0.57) LMNATAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL6299316 0.74 PIM1 (0.68) LMNAGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL21132824 0.73 HPGD (0.50) LMNATP53ALDH1A1HPGDHSD17B10
SCHEMBL16901846 0.72 NAMPT (0.46) IKBKETBK1TAS1R3TAS1R1GRIN2D

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-8987188-B2 Benzodioxole derivatives as watery odorants FIRMENICH SA (CH) 2015-03-24 US disclosed
US-20130288947-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2013-10-31 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-20130288947-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS BBOX1, CBR3, CBR1 LMNA 2242/4885TP53 490/4885IKBKE 3507/4885

“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.