SCHEMBL3510696

SCHEMBL3510696

O=P(OCCOCCCOCc1ccccc1)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.40
NAAA Q02083 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL11560936 0.94 TSHR (0.45) L3MBTL1TDP1TSHRNAAAMEN1
SCHEMBL5087201 0.86 PKM (0.47) L3MBTL1TDP1TSHRMEN1HTT
SCHEMBL5087200 0.86 PKM (0.47) L3MBTL1TDP1TSHRMEN1HTT
SCHEMBL10614250 0.82 TSHR (0.61) TSHRCYP3A4
SCHEMBL32667934 0.81 SRC (0.48) L3MBTL1TDP1PKM
SCHEMBL343402 0.80 SRC (0.52) L3MBTL1TDP1MEN1HTTKMT2A
SCHEMBL381492 0.79 TSHR (0.57) L3MBTL1TDP1TSHRMEN1HTT
SCHEMBL28639421 0.78 ALDH1A1 (0.44) L3MBTL1TDP1MEN1KMT2APKM
SCHEMBL9818167 0.77 SRC (0.48) L3MBTL1TDP1PKM
SCHEMBL26189830 0.77 TSHR (0.67) L3MBTL1TDP1TSHRNAAAHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 L3MBTL1 3648/4885TDP1 4687/4885TSHR 519/4885

“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.