SCHEMBL5144549

SCHEMBL5144549

COc1ccccc1C1(O)C=CC(C(=O)C2C=CC(O)(c3ccccc3OC)C=C2O)C(O)=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TACR1 P25103 2/20 0.34
PDK2 Q15119 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
CA7 P43166 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
SCHEMBL9681362 0.74 KMT2A (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7042662 0.73 SIGMAR1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10893088 0.67 GRIN2B (0.38) KMT2AHTTSMN1; SMN2MEN1
SCHEMBL8520514 0.67 PIN1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11425808 0.66 POLB (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5696701 0.63 HTT (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9732807 0.60 TSHR (0.34) KMT2AHTTTSHRTP53ALDH1A1
SCHEMBL3120601 0.59 TSHR (0.36) KMT2AHTTTSHRTP53ALDH1A1
SCHEMBL7316250 0.59 KMT2A (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5809783 0.59 SIGMAR1 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450812-A4 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS SIGNAL PHARM INC (US) 2007-03-28 EP disclosed
US-7148252-B2 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis SIGNAL PHARMACEUTICALS, LLC (US) 2006-12-12 US disclosed
EP-1450812-A2 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS Signal Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
US-20030149025-A1 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis SIGNAL PHARMACEUTICALS, INC. 2003-08-07 US disclosed
WO-2003028652-A2 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS SIGNAL PHARMACEUTICALS, INC. (US) 2003-04-10 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-20030149025-A1 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis RB1, FOXK1, SKP1 CHRM2 1163/4885CHRM4 2586/4885CHRM5 2798/4885

“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.