SCHEMBL19628514

SCHEMBL19628514

Cn1nc2cc(C(C)(C)C)ccc2c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.35
▸ KIF11 P52732 3/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ XBP1 P17861 1/20 0.33

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
SCHEMBL18233735 0.76 SLC9A1 (0.39) TSHRHSD17B10MEN1KMT2A
SCHEMBL21038105 0.69 ALDH1A1 (0.39) HRH4HRH3KIF11TSHRALDH1A1
SCHEMBL19960782 0.69 LRRK2 (0.36) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18806099 0.68 ADORA2A (0.37) HRH4HRH3KIF11NR1H4ALDH1A1
SCHEMBL682818 0.68 ADORA2A (0.55) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL26262749 0.67 KIF11 (0.35) HRH4HRH3KIF11TSHRALDH1A1
SCHEMBL12859398 0.67 ALDH1A1 (0.41) SIGMAR1KIF11NR1H4TSHRALDH1A1
SCHEMBL23478520 0.67 ADORA2A (0.36) HRH4HRH3KIF11NR1H4ALDH1A1
SCHEMBL14737768 0.67 ADORA2A (0.36) HRH4HRH3KIF11NR1H4ALDH1A1
SCHEMBL1690368 0.67 SCN9A (0.43) HRH4HRH3KIF11ALDH1A1MEN1

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-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 — — 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-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof FXR1, SLC10A1, NR1H4 HRH4 434/4885HRH3 1033/4885SIGMAR1 666/4885

“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.

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