SCHEMBL25123141

SCHEMBL25123141

CCCC(C)COc1cc(CCCCCC(=O)C(C)C)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C8 P10632 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2B6 P20813 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACACB O00763 4/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL26203896 0.88 PTGER1 (0.39) PPARGPPARAMEN1KMT2A
SCHEMBL23842320 0.86 PPARG (0.40) PPARGPPARACYP3A4CYP2C8CYP2C9
SCHEMBL26229267 0.83 MEN1 (0.38) PPARGPPARACYP3A4CYP2C8CYP2C9
SCHEMBL25123368 0.81 GPR88 (0.39) MEN1KMT2AKDM4EALDH1A1
SCHEMBL26206371 0.80 S1PR1 (0.39) PPARGACACB
SCHEMBL25123334 0.79 CNR2 (0.39) —
SCHEMBL26206102 0.78 MAPT (0.39) PPARGPPARACYP3A4CYP2C8CYP2C9
SCHEMBL22525838 0.77 TSHR (0.39) PPARGPPARACYP3A4CYP2C8CYP2C9
SCHEMBL29307148 0.75 TSHR (0.37) PPARGPPARACYP3A4CYP2C8CYP2C9
SCHEMBL23842319 0.75 KEAP1 (0.42) PPARGPPARACYP3A4CYP2C8CYP2C9

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 PPARG 3324/4885PPARA 3484/4885CYP3A4 938/4885

“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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