SCHEMBL7651036

SCHEMBL7651036

c1cc2c(cc1OCC1CCCCC1)CCCCC2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
HRH3 Q9Y5N1 3/20 0.54
CYP2D6 P10635 1/20 0.54
PARP10 Q53GL7 7/20 0.52
PARP15 Q460N3 6/20 0.52
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PDK2 Q15119 1/20 0.47

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
SCHEMBL18616171 0.95 HRH3 (0.56) MAOAMAOBHRH3CYP2D6PARP10
SCHEMBL7649580 0.83 MAOA (0.56) MAOAMAOBHRH3PARP10PARP15
SCHEMBL8191607 0.83 HRH3 (0.55) MAOAMAOBHRH3CYP2D6
SCHEMBL7653452 0.82 PARP10 (0.49) MAOAMAOBPARP10PARP15PDK2
SCHEMBL28232982 0.79 MAOA (0.55) MAOAMAOBPARP10PARP15PDK2
SCHEMBL7661062 0.78 MAOA (0.45) MAOAMAOBHRH3CYP2D6PARP10
SCHEMBL17585078 0.77 HRH3 (0.58) MAOAMAOBHRH3CYP2D6PARP10
SCHEMBL3133660 0.77 ALDH1A1 (0.59) HRH3CYP2D6ALOX15TSHRHSD17B10
SCHEMBL15818535 0.77 HRH3 (0.52) HRH3ALOX15TSHRHSD17B10
SCHEMBL7964624 0.77 ALDH1A1 (0.59) HRH3CYP2D6ALOX15TSHRHSD17B10

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 MAOA 3051/4885MAOB 2687/4885HRH3 615/4885

“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.