SCHEMBL12060607

SCHEMBL12060607

O=P(O)(O)C(C[n+]1ccc(Cc2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 7/20 0.51
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ LAP3 P28838 3/20 0.42
▸ ANPEP P15144 3/20 0.42
▸ ACP3 P15309 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ FDPS P14324 2/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 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
SCHEMBL14199554 0.91 GGPS1 (0.47) GGPS1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL12060604 0.86 GGPS1 (0.58) GGPS1LMNALAP3ANPEPFDPS
SCHEMBL14228034 0.81 LMNA (0.43) GGPS1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL12257810 0.81 GGPS1 (0.58) GGPS1SMN1; SMN2FDPS
SCHEMBL14199572 0.78 GGPS1 (0.53) GGPS1LAP3ANPEPFDPS
SCHEMBL12257829 0.78 GGPS1 (0.54) GGPS1FDPS
SCHEMBL12060601 0.75 GGPS1 (0.83) GGPS1LMNAACP3FDPS
SCHEMBL12060611 0.73 GGPS1 (0.51) GGPS1
SCHEMBL12257840 0.73 GGPS1 (0.55) GGPS1SMN1; SMN2FDPS
Diphenylmethane SCHEMBL28898534 0.73 CALM1 (0.67) LMNAALDH1A1LAP3ANPEPACP3

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 8 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-8012949-B2 Pyridinium-1-yl, quinolinium-1-yl, and related compounds; parasitic infections, for example against trypanosomes; inhibiting the enzyme farnesyl diphosphate synthase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-06 — — US disclosed
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-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
WO-2008128056-A1 BISPHOSPHONATE COMPOUNDS AND METHODS WITH ENHANCED POTENCY FOR MULTIPLE TARGETS INCLUDING FPPS, GGPPS, AND DPPS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-10-23 — — WO disclosed
US-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-10-16 — — 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 (3 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 2/4885LMNA 3198/4885ALDH1A1 4233/4885
US-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS GGPS1, FDPS, FNTA GGPS1 1/4885LMNA 4698/4885ALDH1A1 2062/4885
US-20080318906-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES FDPS, GGPS1, MVD GGPS1 2/4885LMNA 3198/4885ALDH1A1 4233/4885

“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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