SCHEMBL4331799

SCHEMBL4331799

CC(C)(O)C(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SRC P12931 1/20 0.41
RIPK1 Q13546 2/20 0.41
SLC6A4 P31645 2/20 0.39
AOC3 Q16853 1/20 0.39
LMNA P02545 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 0.37
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2789075 0.80 TSHR (0.50) TSHRRIPK1SLC6A4AOC3SLC6A2
SCHEMBL28596431 0.79 MEN1 (0.48) TSHRSLC6A4AOC3LMNASLC6A2
SCHEMBL1885792 0.76 TSHR (0.52) TSHRRIPK1SLC6A4AOC3LMNA
SCHEMBL27289370 0.76 TSHR (0.46) TSHRRIPK1SLC6A4AOC3LMNA
SCHEMBL10712304 0.76 TSHR (0.46) TSHRRIPK1SLC6A4AOC3LMNA
SCHEMBL16210936 0.75 RIPK1 (0.43) SRCRIPK1SLC6A4AOC3LMNA
SCHEMBL29732720 0.75 RIPK1 (0.43) SRCRIPK1SLC6A4AOC3LMNA
Hydrochloric Acid SCHEMBL27285240 0.74 TSHR (0.44) TSHRRIPK1SLC6A4AOC3SLC6A2
SCHEMBL21753496 0.74 TSHR (0.44) TSHRRIPK1MAPT
SCHEMBL10690917 0.74 CYP1A2 (0.42) TSHRSRCRIPK1SLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 TSHR 532/4885SRC 1505/4885RIPK1 2039/4885

“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.