SCHEMBL18807176

SCHEMBL18807176

COc1cc(C)ccc1/C(=C/N(C)C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.44
▸ ACHE P22303 1/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL17338653 0.85 NPC1 (0.51) SMN1; SMN2MAPTL3MBTL1LMNAHTT
SCHEMBL5730216 0.85 NPC1 (0.51) SMN1; SMN2MAPTL3MBTL1LMNAHTT
SCHEMBL5730222 0.85 NPC1 (0.51) SMN1; SMN2MAPTL3MBTL1LMNAHTT
SCHEMBL11013166 0.82 GAA (0.52) CYP11B1CYP11B2SMN1; SMN2MAPTL3MBTL1
SCHEMBL11013164 0.82 GAA (0.52) CYP11B1CYP11B2SMN1; SMN2MAPTL3MBTL1
SCHEMBL1753521 0.78 MEN1 (0.42) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL2064454 0.76 HTT (0.59) PLAUACHESMN1; SMN2MAPTL3MBTL1
SCHEMBL1004370 0.74 PLAU (0.57) PLAUACHESMN1; SMN2MAPTL3MBTL1
SCHEMBL11271262 0.73 GAA (0.59) SMN1; SMN2MAPTLMNAHTTCYP3A4
SCHEMBL10892077 0.73 GAA (0.59) SMN1; SMN2MAPTLMNAHTTCYP3A4

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-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 — — 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-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF ABAT, HADHB, CYP11B2 PLAU 1136/4885ACHE 4186/4885CYP11B1 4/4885

“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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