SCHEMBL7659131

SCHEMBL7659131

CC(C)(C)OC(=O)NC1CCCCc2cc(OCC3CCCCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
SRC P12931 4/20 0.42
PARP15 Q460N3 3/20 0.42
BDKRB1 P46663 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
CACNA1B Q00975 1/20 0.41
ADAM17 P78536 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 1/20 0.40
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL7781773 0.88 TAS1R3 (0.40) PARP10TAS1R3TAS1R1TAS1R2SRC
SCHEMBL7654914 0.83 SRC (0.51) SRC
SCHEMBL7654125 0.82 SRC (0.58) PARP10SRCPARP15
SCHEMBL7654129 0.82 SRC (0.58) PARP10SRCPARP15
SCHEMBL7240357 0.82 SRC (0.44) SRC
SCHEMBL20533142 0.80 DRD2 (0.41) TAS1R3TAS1R1TAS1R2BDKRB1ALDH1A1
SCHEMBL20533140 0.80 DRD2 (0.41) TAS1R3TAS1R1TAS1R2BDKRB1ALDH1A1
SCHEMBL20683057 0.80 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL26073271 0.80 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL16809810 0.79 KMT2A (0.44) TAS1R3TAS1R1TAS1R2CACNA1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482852-B2 UE TREATING PROLIFERATIVE DISEASE, CANCER, RESTENOSIS, OSTEOPOROSIS, INFLAMMATION, ALLERGIES, OR CARDIOVASCULAR DISEASE; INHIBITION OF SH2-MEDIATED SIGNALING ARIAD PHARMACEUTICALS, INC. 2002-11-19 US disclosed
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling ARIAD PHARMACEUTICALS, INC. 2002-09-26 US disclosed
EP-1129068-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITION CONTAINING THEM AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-05 EP disclosed
WO-2000027802-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM & USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2000-05-18 WO 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-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling GRB2, LCK, PTK2 PARP10 2644/4885TAS1R3 3142/4885TAS1R1 2408/4885

“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.