SCHEMBL10245982

SCHEMBL10245982

CCc1ccc(C(C)(C)OC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PLK1 P53350 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 1/20 0.34
KIF11 P52732 2/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOD1 P00441 1/20 0.33
MGLL Q99685 2/20 0.32

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
SCHEMBL138151 0.78 TSHR (0.46) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL17188542 0.76 ESR1 (0.48) ALDH1A1HPGDLMNATDP1TSHR
SCHEMBL135668 0.75 MAPK1 (0.56) ALDH1A1LMNAMAPTTDP1MEN1
SCHEMBL17320466 0.75 RORC (0.43) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL25689797 0.74 EPHX2 (0.44) MAPTTDP1EPHX2NR1H4KMT2A
SCHEMBL10246118 0.74 TDP1 (0.33) TDP1
SCHEMBL5548786 0.74 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDTDP1TP53
SCHEMBL202261 0.73 MAPK1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL10245980 0.73 ALDH1A1 (0.42) ALDH1A1TDP1TSHREPHX2NR1H4
SCHEMBL14137686 0.73 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2HPGDLMNAMAPT

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 ALDH1A1 1165/4885SMN1; SMN2 1922/4885HPGD 4633/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885SMN1; SMN2 1922/4885HPGD 4633/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885SMN1; SMN2 1922/4885HPGD 4633/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885SMN1; SMN2 1922/4885HPGD 4633/4885

“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.