SCHEMBL10245980

SCHEMBL10245980

C=Cc1ccc(C(C)(C)OC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP2A6 P11509 2/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPA1 O75762 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL2556558 0.78 ALDH1A1 (0.48) ALDH1A1TDP1TSHRHDAC8CYP2A6
SCHEMBL138151 0.78 TSHR (0.46) ALDH1A1TDP1TSHRCYP2A6MAPK1
SCHEMBL17188542 0.76 ESR1 (0.48) ALDH1A1TDP1TSHR
SCHEMBL6682418 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHRHDAC8TAS1R3
SCHEMBL135668 0.75 MAPK1 (0.56) ALDH1A1TDP1HDAC8CYP2A6MAPK1
SCHEMBL5270257 0.74 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHDAC8CHRNB2
SCHEMBL9460500 0.74 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHDAC8EPHX2
SCHEMBL202261 0.73 MAPK1 (0.43) ALDH1A1TDP1MAPK1
SCHEMBL5274018 0.73 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHDAC8TAS1R3
SCHEMBL10245982 0.73 ALDH1A1 (0.42) ALDH1A1TDP1TSHREPHX2NR1H4

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 1165/4885TDP1 361/4885TSHR 1860/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885TDP1 361/4885TSHR 1860/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885TDP1 361/4885TSHR 1860/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885TDP1 361/4885TSHR 1860/4885

“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.