SCHEMBL21092115

SCHEMBL21092115

Cc1ccc(CP(=O)(O)OP(=O)(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.46
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
ENPP2 Q13822 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38
GAA P10253 1/20 0.38
AGXT P21549 2/20 0.36
CYP3A4 P08684 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL914541 0.85 PPARD (0.44) BTN3A1TSHRLMNAENPP2NPC1
SCHEMBL27465783 0.81 TSHR (0.42) BTN3A1TSHRLMNAENPP2NPC1
SCHEMBL21091772 0.80 S1PR1 (0.45) ENPP2NPC1RAB9APGK1PGK2
Pyrophosphoric Acid SCHEMBL28579050 0.79 LMNA (0.56) BTN3A1TSHRLMNAGAACYP3A4
SCHEMBL916486 0.77 PGK1 (0.61) TSHRLMNAENPP2PGK1PGK2
SCHEMBL21091767 0.77 ALDH1A1 (0.38) BTN3A1TSHRLMNAENPP2PGK1
SCHEMBL17488978 0.75 PPARD (0.50) TSHRENPP2PGK1PGK2
SCHEMBL11481753 0.75 PGK1 (0.59) TSHRLMNAENPP2PGK1PGK2
SCHEMBL18392888 0.75 LMNA (0.48) TSHRLMNAENPP2NPC1RAB9A
SCHEMBL27560451 0.75 TSHR (0.58) TSHRLMNANPC1RAB9AMAPT

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-11046798-B2 Phosphono-phosphate containing compounds and polymers THE PROCTER & GAMBLE COMPANY (US) 2021-06-29 US disclosed
US-20190177456-A1 Phosphono-Phosphate Containing Compounds And Polymers THE PROCTER & GAMBLE COMPANY 2019-06-13 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-20190177456-A1 Phosphono-Phosphate Containing Compounds And Polymers PHPT1, PHOSPHO1, PPIP5K2 BTN3A1 1210/4885TSHR 4020/4885LMNA 3512/4885
US-11046798-B2 Phosphono-phosphate containing compounds and polymers PHPT1, PHOSPHO1, PPIP5K2 BTN3A1 1210/4885TSHR 4020/4885LMNA 3512/4885

“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.