SCHEMBL17755781

SCHEMBL17755781

Cc1c(C(C)CC(=O)Nc2ccccc2)noc1C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RORC P51449 7/20 0.41
▸ TAS2R8 Q9NYW2 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL17755785 1.00 HPGD (0.41) HPGDLMNARORCTAS2R8TSHR
SCHEMBL17755786 0.88 RORC (0.45) HPGDLMNARORCTSHR
SCHEMBL17755789 0.87 RORC (0.42) HPGDLMNARORCEPHX2
SCHEMBL17755766 0.81 HPGD (0.49) HPGDLMNATAS2R8TSHRALDH1A1
SCHEMBL17755770 0.81 HPGD (0.49) HPGDLMNATAS2R8TSHRALDH1A1
SCHEMBL17755783 0.78 LMNA (0.46) HPGDLMNATAS2R8TSHRALDH1A1
SCHEMBL17755791 0.76 RORC (0.45) RORC
SCHEMBL17755760 0.75 ALDH1A1 (0.48) HPGDLMNATSHRALDH1A1RAB9A
SCHEMBL17755753 0.75 ALDH1A1 (0.48) HPGDLMNATSHRALDH1A1RAB9A
SCHEMBL17755772 0.72 HPGD (0.49) HPGDLMNATAS2R8TSHRALDH1A1

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 HPGD 841/4885LMNA 4195/4885RORC 233/4885

“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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