SCHEMBL4654483

SCHEMBL4654483

ClC1(COCc2ccccc2)OCCO1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TACR1 P25103 5/20 0.44
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL715051 0.81 TSHR (0.52) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL711818 0.79 TSHR (0.48) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL4337826 0.79 TSHR (0.48) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL10371092 0.76 TSHR (0.54) TSHRTACR1IDO1TAAR1LMNA
SCHEMBL714091 0.75 TSHR (0.48) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL17611895 0.75 TACR1 (0.44) TSHRTACR1NPC1RAB9ASMN1; SMN2
SCHEMBL27674725 0.74 TSHR (0.47) TSHRTACR1SLC6A4MEN1KMT2A
SCHEMBL754280 0.73 TSHR (0.50) TSHRTACR1IDO1TAAR1LMNA
SCHEMBL17320197 0.72 TACR1 (0.42) TSHRTACR1NPC1RAB9AL3MBTL1
SCHEMBL416619 0.72 TACR1 (0.42) TSHRTACR1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101429215-A Process for selectively producing 1-phosphorylated sugar derivative anomer and process for producing nucleoside MITSUI CHEMICALS INC (JP) 2009-05-13 CN disclosed
EP-1178051-B1 PROCESS FOR SELECTIVELY PRODUCING 1-PHOSPHORYLATED SUGAR DERIVATIVE ANOMER AND PROCESS FOR PRODUCING NUCLEOSIDE MITSUI CHEMICALS INC (JP) 2008-05-28 EP disclosed
US-20060094869-A1 Selective process for producing an anomer of a 1-phosphorylated saccharide derivative and process for producing a nucleoside MITSUI CHEMICALS, INC. (JP) 2006-05-04 US disclosed
US-7038039-B2 Process for selectively producing 1-phosphorylated sugar derivative anomer and process for producing nucleoside MITSUI CHEMICALS, INC. (JP) 2006-05-02 US disclosed
US-20020193314-A1 Process for selectively producing 1-phosphorylated sugar derivative anomer and process for producing nucleoside MITSUI CHEMICALS, INC. (JP) 2002-12-19 US disclosed
CN-1372564-A Process for selectively preparing anomers of 1-phosphorylated sugar derivatives and process for preparing nucleosides MITSUI CHEMICALS INC (JP) 2002-10-02 CN disclosed
EP-1178051-A2 PROCESS FOR SELECTIVELY PRODUCING 1-PHOSPHORYLATED SUGAR DERIVATIVE ANOMER AND PROCESS FOR PRODUCING NUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2002-02-06 EP 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 (2 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-20060094869-A1 Selective process for producing an anomer of a 1-phosphorylated saccharide derivative and process for producing a nucleoside PNP, MTAP, GALE TSHR 4367/4885TACR1 3793/4885NPC1 3385/4885
US-20020193314-A1 Process for selectively producing 1-phosphorylated sugar derivative anomer and process for producing nucleoside PNP, GALE, MTAP TSHR 4338/4885TACR1 4120/4885NPC1 2672/4885

“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.