SCHEMBL20100924

SCHEMBL20100924

CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccc(O)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
MAPK1 P28482 2/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 0.63
SHBG P04278 1/20 0.55
CYP19A1 P11511 2/20 0.53
CYP2C19 P33261 1/20 0.53
ELANE P08246 2/20 0.52
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL28880629 1.00 MAPT (1.00) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL31540152 0.94 MAPT (0.89) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL17951346 0.88 MAPT (0.79) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL20100948 0.88 MAPT (0.79) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL309536 0.88 MAPT (0.78) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL29022975 0.88 MAPT (0.78) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL28793590 0.87 MAPT (0.77) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL27843399 0.87 MAPT (0.77) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL27219411 0.87 MAPT (0.77) MAPTMAPK1KMT2AMEN1SHBG
SCHEMBL27219410 0.87 MAPT (0.77) MAPTMAPK1KMT2AMEN1SHBG

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 1 patent. 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 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 MAPT 4553/4885MAPK1 2029/4885KMT2A 4075/4885

“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.