SCHEMBL12440416

SCHEMBL12440416

C=CCOP(=O)(OCC=C)C(Cc1ccc(C)cc1)P(=O)(OCC=C)OCC=C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.38
BTN3A1 O00481 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
PSMB5 P28074 1/20 0.31
PPARD Q03181 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
AGXT P21549 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL25922136 0.80 HMGCR (0.56) HMGCRALDH1A1KDM4EGAA
SCHEMBL13334637 0.74 MAPT (0.35) ALDH1A1SMN1; SMN2NPC1KDM4EGAA
SCHEMBL28486412 0.69 CYP3A4 (0.60) ALDH1A1HPGDCYP3A4TSHR
SCHEMBL25922141 0.67 HMGCR (0.56) HMGCR
SCHEMBL19949804 0.67 ALDH1A1 (0.42) BTN3A1ALDH1A1HPGDCYP3A4TSHR
SCHEMBL5003858 0.66 HMGCR (0.51) HMGCRALDH1A1NPC1KDM4EGAA
SCHEMBL5664710 0.66 HMGCR (0.57) HMGCRGAA
SCHEMBL9095391 0.65 AGXT (0.48) ALDH1A1SMN1; SMN2NPC1CYP3A4TSHR
SCHEMBL2807785 0.64 HMGCR (0.48) HMGCRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL27362447 0.64 IDO1 (0.37) HPGDSMN1; SMN2PSMB5AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524691-B2 Phosphonated rifamycins and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2013-09-03 US disclosed
US-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2011-07-21 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-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH HMGCR 157/4885BTN3A1 3851/4885ALDH1A1 3493/4885

“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.