SCHEMBL7014268

SCHEMBL7014268

Cc1cc(N2CCC3(CC2)OCCO3)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
LGMN Q99538 1/20 0.44
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
HCRTR1 O43613 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
OGA O60502 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9948445 0.83 KMT2A (0.50) HSD17B10ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL17902011 0.82 LGMN (0.47) HSD17B10LGMNALDH1A1SMN1; SMN2MAPT
SCHEMBL17893619 0.79 LGMN (0.44) HSD17B10LGMNALDH1A1SMN1; SMN2MAPT
SCHEMBL11630209 0.76 MAPT (0.58) HSD17B10ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL12595116 0.76 LGMN (0.45) HSD17B10LGMNALDH1A1SMN1; SMN2MAPT
SCHEMBL17893679 0.76 FFAR4 (0.48) HSD17B10LGMNALDH1A1SMN1; SMN2MAPT
SCHEMBL14336803 0.75 CHRM2 (0.48) HSD17B10LGMNALDH1A1SMN1; SMN2MAPT
SCHEMBL14337144 0.75 LGMN (0.47) HSD17B10LGMNALDH1A1SMN1; SMN2MAPT
SCHEMBL14117662 0.75 LGMN (0.54) HSD17B10LGMNALDH1A1SMN1; SMN2MAPT
SCHEMBL17893792 0.75 ADRB1 (0.53) HSD17B10LGMNALDH1A1SMN1; SMN2MAPT

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-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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 (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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH HSD17B10 2129/4885LGMN 3251/4885ALDH1A1 4317/4885

“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.