SCHEMBL12060530

SCHEMBL12060530

CCCCOc1ccc(-c2ccc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 7/20 0.58
▸ FDPS P14324 9/20 0.46
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ RARB P10826 3/20 0.40

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
SCHEMBL12048201 0.94 GGPS1 (0.55) GGPS1FDPSCYP3A4CYP2D6CYP19A1
SCHEMBL12060540 0.85 GGPS1 (0.63) GGPS1FDPS
SCHEMBL12060365 0.85 GGPS1 (0.59) GGPS1FDPSS1PR1RARB
SCHEMBL12060352 0.81 GGPS1 (0.84) GGPS1FDPS
SCHEMBL12048205 0.80 GGPS1 (0.59) GGPS1FDPS
SCHEMBL12060535 0.80 GGPS1 (0.72) GGPS1FDPS
SCHEMBL12048173 0.80 GGPS1 (0.56) GGPS1FDPSS1PR1RARB
SCHEMBL12060371 0.79 GGPS1 (0.67) GGPS1FDPS
SCHEMBL14199576 0.77 GGPS1 (0.68) GGPS1FDPS
SCHEMBL12048146 0.76 GGPS1 (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071573-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, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS (US) 2011-12-06 — — US disclosed
US-20100316676-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, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-12-16 — — US 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 (2 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-20100316676-A1 Bisphosphonate Compounds and Methods for Bone Resorption Diseases, Cancer, Bone Pain, Immune Disorders, and Infectious Diseases FDPS, GGPS1, MVD GGPS1 2/4885FDPS 1/4885CYP3A4 3961/4885
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 1/4885CYP3A4 3961/4885

“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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