SCHEMBL7784801

SCHEMBL7784801

O=P(O)(O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.48
ITPR3 Q14573 8/20 0.46
ITPR2 Q14571 4/20 0.46
ITPR1 Q14643 4/20 0.46
INPP5A Q14642 3/20 0.44
INPPL1 O15357 1/20 0.44
AKT1 P31749 1/20 0.44

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
SCHEMBL21425733 0.86 ITPR3 (0.46) SMPD1ITPR3ITPR2ITPR1INPP5A
SCHEMBL19798476 0.82 HSD11B1 (0.35) SMPD1
SCHEMBL6862681 0.80 HSD11B1 (0.35)
Phytic Acid SCHEMBL9741350 0.73 ITPR3 (0.77) SMPD1ITPR3ITPR2ITPR1INPP5A
Phytic Acid SCHEMBL17006482 0.73 ITPR3 (0.77) SMPD1ITPR3ITPR2ITPR1INPP5A
Phytate SCHEMBL136587 0.73 ITPR3 (0.77) SMPD1ITPR3ITPR2ITPR1INPP5A
SCHEMBL8467566 0.73 ITPR3 (0.77) SMPD1ITPR3ITPR2ITPR1INPP5A
Phytic Acid SCHEMBL1681701 0.73 ITPR3 (0.77) SMPD1ITPR3ITPR2ITPR1INPP5A
Phytic Acid SCHEMBL9164308 0.73 ITPR3 (0.77) SMPD1ITPR3ITPR2ITPR1INPP5A
Phytic Acid SCHEMBL15374707 0.73 ITPR3 (0.77) SMPD1ITPR3ITPR2ITPR1INPP5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
EP-1155143-A1 DETERMINATION OF NUCLEASE ACTIVITY Zetatronics Limited (GB) 2001-11-21 EP disclosed
WO-2000049172-A1 DETERMINATION OF NUCLEASE ACTIVITY ZETATRONICS LIMITED (GB) 2000-08-24 WO 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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 SMPD1 441/4885ITPR3 2324/4885ITPR2 2229/4885

“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.