SCHEMBL12436806

SCHEMBL12436806

COc1cccc(-c2ccc[n+](CC(P(=O)(O)O)P(=O)(O)O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 13/20 0.65
▸ FDPS P14324 2/20 0.47
▸ HDAC4 P56524 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ KAT6A Q92794 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 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
SCHEMBL14199567 0.94 GGPS1 (0.61) GGPS1FDPSHDAC4HDAC8BRD4
SCHEMBL12060536 0.88 GGPS1 (0.72) GGPS1FDPS
SCHEMBL12060544 0.86 GGPS1 (0.79) GGPS1FDPS
SCHEMBL12257805 0.85 GGPS1 (0.88) GGPS1FDPS
SCHEMBL14199566 0.82 GGPS1 (0.68) GGPS1FDPS
SCHEMBL14199589 0.81 GGPS1 (0.74) GGPS1FDPS
SCHEMBL14199565 0.80 GGPS1 (0.83) GGPS1FDPS
SCHEMBL12060601 0.80 GGPS1 (0.83) GGPS1FDPS
SCHEMBL12060548 0.79 GGPS1 (0.62) GGPS1FDPSHDAC4HDAC8KAT6A
SCHEMBL12060624 0.79 GGPS1 (0.57) GGPS1FDPS

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
EP-1802641-B1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES UNIV ILLINOIS (US) 2011-08-10 — — EP disclosed
US-7745422-B2 Bisphosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-06-29 — — US disclosed
US-20080318906-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-12-25 — — US disclosed
US-7358361-B2 Biophosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-15 — — 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-20080318906-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES FDPS, GGPS1, MVD GGPS1 2/4885FDPS 1/4885HDAC4 4256/4885

“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.

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