SCHEMBL6776832

SCHEMBL6776832

CCC(CC)(c1cc[c]cc1)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.33
PGK2 P07205 2/20 0.33
TSHR P16473 2/20 0.32
PTPN1 P18031 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 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
SCHEMBL7870277 0.86 PGK1 (0.44) PGK1PGK2TSHRPTPN1MEN1
SCHEMBL6769521 0.82 FDPS (0.42)
SCHEMBL1556937 0.80 PTPN1 (0.52) PGK1PGK2TSHRPTPN1MEN1
Hydrogen Peroxide SCHEMBL8609891 0.80 PTPN1 (0.52) PGK1PGK2TSHRPTPN1MEN1
SCHEMBL5859053 0.80 PTPN5 (0.46) PGK1PGK2PTPN1PTPN2PTPN6
SCHEMBL8470305 0.78 PGK1 (0.39) PGK1PGK2TSHRPTPN1MEN1
SCHEMBL2382743 0.78 TSHR (0.43) PGK1PGK2TSHRALDH1A1GAA
SCHEMBL23908217 0.77 PGK1 (0.43) PGK1PGK2TSHRPTPN1MEN1
SCHEMBL1354398 0.77 MEN1 (0.42) PGK1PGK2TSHRMEN1ALDH1A1
SCHEMBL17311345 0.77 PGK1 (0.38) PGK1PGK2PTPN1PTPN2PTPN6

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-6720344-B2 BINDING TO NUCLEAR RECEPTOR PROTEINS; STIMULATING BMP-2 PROMOTER ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2004-04-13 US disclosed
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants KERWIN SEAN M (US) 2003-06-26 US disclosed
EP-0912549-A4 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF UNIV TEXAS (US) 2002-01-02 EP disclosed
EP-0912549-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-05-06 EP disclosed
WO-1997048694-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-12-24 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-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants MKI67, HGF, AREG PGK1 1770/4885PGK2 2196/4885TSHR 343/4885

“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.