SCHEMBL20047692

SCHEMBL20047692

Cc1cc(F)c2cc(C(C)C)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
CYP2A6 P11509 4/20 0.37
CYP1A2 P05177 3/20 0.37
IDH1 O75874 2/20 0.34
HTR1D P28221 1/20 0.34
EIF4A3 P38919 2/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KIF11 P52732 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GAA P10253 2/20 0.32
UGT2B7 P16662 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL12227987 0.78 CYP1A2 (0.52) LMNACYP2A6CYP1A2TDP1ESR1
SCHEMBL20047550 0.77 AKR1C3 (0.35) LMNATRPA1PTGS1CACNA1CHTR1D
SCHEMBL14525500 0.76 NFE2L2 (0.39) LMNACYP2A6CYP1A2KIF11ESR1
SCHEMBL23479809 0.76 UGT2B7 (0.41) KIF11UGT2B7
SCHEMBL20047694 0.75 HDAC4 (0.41) LMNATRPA1PTGS1CACNA1CCYP2A6
SCHEMBL22672550 0.75 EIF4A3 (0.48) LMNAEIF4A3GAAHTTKDM4E
SCHEMBL14525504 0.73 CYP2A6 (0.36) LMNACYP2A6CYP1A2ESR1ESR2
SCHEMBL30253980 0.71 CYP2A6 (0.62) LMNATRPA1PTGS1CACNA1CCYP2A6
SCHEMBL7921714 0.71 CYP2A6 (0.67) LMNATRPA1PTGS1CACNA1CCYP2A6
SCHEMBL7915628 0.71 CYP2A6 (0.62) LMNATRPA1PTGS1CACNA1CCYP2A6

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 LMNA 3944/4885TRPA1 1091/4885PTGS1 483/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 LMNA 3944/4885TRPA1 1091/4885PTGS1 483/4885

“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.