SCHEMBL10246834

SCHEMBL10246834

COc1cc(C(C)(C)C(C)=O)ccc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RORC P51449 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4B Q07343 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
SCHEMBL897856 0.88 AKR1C3 (0.44) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL9577266 0.87 CYP3A4 (0.48) L3MBTL1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL897637 0.85 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL897822 0.82 CNR2 (0.54) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL2439167 0.79 CYP19A1 (0.45) ALDH1A1MAPTSMN1; SMN2TP53GAA
SCHEMBL897701 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPTMAPK1HPGD
SCHEMBL10227971 0.76 KMO (0.43) ALDH1A1MAPTSMN1; SMN2RAB9AGAA
SCHEMBL601612 0.76 AKR1C3 (0.43) MAPK1RAB9AHTT
SCHEMBL5466423 0.74 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL7583554 0.74 ALDH1A1 (0.44) ALDH1A1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20160340308-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-24 US disclosed
US-9440922-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
US-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 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 (4 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 L3MBTL1 200/4885ALDH1A1 1165/4885MAPT 68/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 L3MBTL1 200/4885ALDH1A1 1165/4885MAPT 68/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 L3MBTL1 200/4885ALDH1A1 1165/4885MAPT 68/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 L3MBTL1 200/4885ALDH1A1 1165/4885MAPT 68/4885

“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.