SCHEMBL6298568

SCHEMBL6298568

O=C(OC1CCCCCCC1)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HTT P42858 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPK10 P53779 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 1/20 0.51
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
SERPINE1 P05121 2/20 0.49

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
SCHEMBL6298658 1.00 STS (0.60) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL4242989 1.00 STS (0.60) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL29283750 0.98 STS (0.59) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL14545540 0.95 STS (0.56) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL110657 0.92 SMN1; SMN2 (0.68) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL27647587 0.90 SMN1; SMN2 (0.66) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL27668237 0.90 SMN1; SMN2 (0.66) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL27647562 0.90 SMN1; SMN2 (0.66) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL27647429 0.90 SMN1; SMN2 (0.66) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL27647433 0.90 SMN1; SMN2 (0.66) STSSMN1; SMN2LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 US claimed
WO-2016116054-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2016-07-28 WO claimed
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 US disclosed
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 US disclosed
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 US disclosed
WO-2016116054-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2016-07-28 WO disclosed
EP-1556434-B1 POLYCARBONATES, POLYESTER CARBONATES AND POLYESTERS CONTAINING CYCLOALKYL-SUBSTITUTED PHENOLS IN A LATERAL POSITION BAYER MATERIALSCIENCE AG (DE) 2007-10-17 EP disclosed
US-6916899-B2 Polycarbonates, polyester carbonates and polyesters having lateral, cycloalkyl-substituted phenols BAYER AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040158025-A1 Polycarbonates, polyester carbonates and polyesters having lateral, cycloalkyl-substituted phenols BAYER AKTIENGESELLSCHAFT (DE) 2004-08-12 US disclosed
US-20040127677-A1 Polycarbonates, polyester carbonates and polyesters having lateral, cycloalkyl-substituted phenols BAYER AKTIENGESELLSCHAFT (DE) 2004-07-01 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-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF NR1H4, FABP1, NR1H2 STS 3261/4885SMN1; SMN2 4843/4885LMNA 3367/4885

“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.