SCHEMBL19578337

SCHEMBL19578337

CCC(C)C(=O)[C@@H](c1ccccc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 2/20 0.51
GAA P10253 1/20 0.51
HIF1A Q16665 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
SCHEMBL18782934 0.87 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL19578097 0.87 LMNA (0.59) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL13154002 0.86 GAA (0.60) ALDH1A1TSHRHPGDLMNACYP3A4
SCHEMBL888796 0.85 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL10298821 0.85 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL19364727 0.85 SMN1; SMN2 (0.56) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL8930271 0.84 MC4R (0.51) ALDH1A1LMNAGAA
SCHEMBL19334117 0.82 KCNA3 (0.43) ALDH1A1TSHRLMNAGAA
SCHEMBL18889507 0.81 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL8917009 0.81 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2HPGDLMNA

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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885SMN1; SMN2 4352/4885

“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.