SCHEMBL887322

SCHEMBL887322

O=P1(O)OC(c2ccccc2)C(c2ccccc2)S1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA2 P00918 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
TSHR P16473 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
SCHEMBL887381 0.74 CA2 (0.35) EPHX1MAPK1SMN1; SMN2KDM4EUSP2
SCHEMBL887374 0.71 MAPK1 (0.42) EPHX1MAPK1SMN1; SMN2GPR84TSHR
SCHEMBL887275 0.71 MAPK1 (0.42) EPHX1MAPK1SMN1; SMN2GPR84TSHR
SCHEMBL887405 0.71 MAPK1 (0.42) EPHX1MAPK1SMN1; SMN2GPR84TSHR
SCHEMBL21473177 0.69 TSHR (0.37) KDM4EHPGDHSD17B10TSHR
SCHEMBL21473175 0.69 TSHR (0.37) KDM4EHPGDHSD17B10TSHR
SCHEMBL21474188 0.69 TSHR (0.37) KDM4EHPGDHSD17B10TSHR
SCHEMBL21473272 0.68 ALDH1A1 (0.34) SMN1; SMN2KDM4EHPGDRECQL
SCHEMBL31574623 0.66 MAPK1 (0.41) EPHX1MAPK1SMN1; SMN2KDM4EPOLB
SCHEMBL887283 0.64 GBA1 (0.39) EPHX1MAPK1SMN1; SMN2CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 EPHX1 1098/4885MAPK1 349/4885SMN1; SMN2 2249/4885

“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.