SCHEMBL17755786

SCHEMBL17755786

Cc1c([C@@H](C)CC(=O)Nc2ccccc2)noc1[C@H]1C[C@@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.45
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.39

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
SCHEMBL17755781 0.88 HPGD (0.41) RORCLMNAHPGDTSHR
SCHEMBL17755785 0.88 HPGD (0.41) RORCLMNAHPGDTSHR
SCHEMBL17755791 0.88 RORC (0.45) RORC
SCHEMBL17755766 0.81 HPGD (0.49) LMNAHPGDTSHR
SCHEMBL17755770 0.81 HPGD (0.49) LMNAHPGDTSHR
SCHEMBL17755783 0.78 LMNA (0.46) LMNAHPGDTSHR
SCHEMBL17755789 0.76 RORC (0.42) RORCLMNAHPGD
SCHEMBL17755787 0.72 HPGD (0.41) LMNAHPGDTSHR
SCHEMBL17755753 0.72 ALDH1A1 (0.48) LMNAHPGDTSHR
SCHEMBL17755760 0.72 ALDH1A1 (0.48) LMNAHPGDTSHR

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 RORC 233/4885LMNA 4195/4885HPGD 841/4885

“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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