SCHEMBL25122669

SCHEMBL25122669

CCOc1cc(CCCCCC(=O)C(C)C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.41
▸ ACHE P22303 3/20 0.41
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX5 P09917 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
SCHEMBL23842319 0.89 KEAP1 (0.42) BCHEACHEPPARGPPARATSHR
SCHEMBL25122727 0.86 PPARG (0.40) PPARGPPARACYP1A2CYP3A4CYP2C8
SCHEMBL23842320 0.86 PPARG (0.40) PPARGPPARAKMT2AMEN1CYP1A2
SCHEMBL25123251 0.78 CNR2 (0.42) KMT2AMEN1TSHR
SCHEMBL25123338 0.78 PPARA (0.55) PPARGPPARA
SCHEMBL17577540 0.76 NPC1 (0.48) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL25122747 0.75 CNR2 (0.46) PPARGPPARA
SCHEMBL25123655 0.75 CYP4F2 (0.46) PPARGPPARAKMT2AMEN1
SCHEMBL23845279 0.75 CYP4F2 (0.37) PPARGPPARA
SCHEMBL26203896 0.75 PTGER1 (0.39) PPARGPPARAKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-13 — — 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 (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-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF CDK2, CDK20, CDK1 BCHE 2156/4885ACHE 2246/4885PPARG 3324/4885

“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.

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