SCHEMBL17941237

SCHEMBL17941237

Nc1ccc(C(=O)OC2CCC3CCCCC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.46
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SERPINE1 P05121 1/20 0.40
CHRNA7 P36544 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL17941263 0.87 KMT2A (0.45) STSLMNASMN1; SMN2MAPTNPSR1
SCHEMBL17941240 0.85 STS (0.46) STSLMNASMN1; SMN2MAPTNPSR1
SCHEMBL17941244 0.81 ALOX15 (0.40) STSSMN1; SMN2MAPTCYP1A2NPC1
SCHEMBL8084549 0.81 STS (0.63) STSLMNASMN1; SMN2MAPTNPSR1
SCHEMBL17941249 0.81 STS (0.63) STSLMNASMN1; SMN2MAPTNPSR1
SCHEMBL17941250 0.81 STS (0.63) STSLMNASMN1; SMN2MAPTNPSR1
SCHEMBL17941239 0.81 POLB (0.60) SMN1; SMN2MAPTALDH1A1CYP2C19PTPN2
SCHEMBL17941234 0.79 CYP2D6 (0.48) LMNAMAPTALDH1A1CYP2D6
SCHEMBL17941232 0.78 KMT2A (0.63) LMNAMAPTHTTRAB9ASERPINE1
SCHEMBL17941233 0.77 SERPINE1 (0.45) STSSMN1; SMN2MAPTCYP1A2NPC1

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 5 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
WO-2016116054-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2016-07-28 WO 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 3261/4885LMNA 3367/4885SMN1; SMN2 4843/4885

“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.