SCHEMBL25440562

SCHEMBL25440562

CCCCCCC(OCC(CC)CCCC)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
TSHR P16473 3/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
CA2 P00918 4/20 0.43
ALDH1A1 P00352 4/20 0.43
FAAH O00519 1/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 3/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40

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
SCHEMBL24170388 0.87 CYP3A4 (0.49) CYP3A4TSHRATMTDP1PRSS1
SCHEMBL9478682 0.87 CYP3A4 (0.49) CYP3A4TSHRATMTDP1PRSS1
SCHEMBL12631799 0.78 CYP3A4 (0.53) CYP3A4TSHRATMTDP1PRSS1
SCHEMBL26386523 0.78 CES2 (0.46) TSHRFAAHZDHHC7LCKPPARD
SCHEMBL26386520 0.78 CES2 (0.46) TSHRFAAHZDHHC7LCKPPARD
SCHEMBL7174572 0.78 CES2 (0.46) TSHRFAAHZDHHC7LCKPPARD
SCHEMBL27969438 0.78 CES2 (0.46) TSHRFAAHZDHHC7LCKPPARD
SCHEMBL26386518 0.78 PLA2G2C (0.46) TSHRCA2FAAH
SCHEMBL26386524 0.78 PLA2G2C (0.46) TSHRCA2FAAH
SCHEMBL27574699 0.76 CYP3A4 (0.55) CYP3A4TSHRATMTDP1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312449-A1 CARBOXYLIC ACID COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF BOTREE CYCLING SCI & TECH CO., LTD. (CN) 2023-10-05 US disclosed
EP-4177241-A1 CARBOXYLIC ACID COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Botree Cycling Sci & Tech Co., Ltd. (CN) 2023-05-10 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-20230312449-A1 CARBOXYLIC ACID COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SLC7A11, SLC7A1, SLC39A11 CYP3A4 737/4885TSHR 4281/4885ATM 4744/4885

“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.