SCHEMBL9891064

SCHEMBL9891064

CCOCOP(C)(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
CETP P11597 3/20 0.45
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
FOLH1 Q04609 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPRT1 P00492 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL17034260 0.86 TSHR (0.55) TSHRCETPPKMNPSR1KCNH2
SCHEMBL389180 0.86 TSHR (0.63) TSHRCETPPKMFOLH1ALDH1A1
SCHEMBL19986359 0.77 TSHR (0.53) TSHRCETPPKMFOLH1ALDH1A1
SCHEMBL8619121 0.77 TSHR (0.57) TSHRCETPPKMFOLH1ALDH1A1
Ether SCHEMBL1680195 0.76 TSHR (0.61) TSHRCETPNPSR1FOLH1ALDH1A1
SCHEMBL12313535 0.75 TSHR (0.55) TSHRCETPPKMFOLH1ALDH1A1
SCHEMBL17537490 0.75 TSHR (0.59) TSHRCETPNPSR1FOLH1ALDH1A1
SCHEMBL5353833 0.74 TSHR (0.61) TSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL3367142 0.74 TSHR (0.63) TSHRCETPPKMFOLH1ALDH1A1
SCHEMBL26569501 0.74 TSHR (0.53) TSHRCETPPKMSRC

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-8785629-B2 Phosphonates synthons for the synthesis of phosphonates derivatives showing better bioavailability CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-22 US disclosed
US-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY UNIVERSITE D'ORLEANS (FR) 2012-06-07 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-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY PNP, PHPT1, TYMP TSHR 1146/4885CETP 3298/4885PKM 262/4885

“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.