SCHEMBL24413826

SCHEMBL24413826

CC(C)Oc1c(C(=O)O)cc(C(C)C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ DHODH Q02127 1/20 0.41
▸ BCL2 P10415 3/20 0.40
▸ MCL1 Q07820 4/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ NR4A1 P22736 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39
▸ EDNRA P25101 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CDC25B P30305 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
SCHEMBL9504621 0.78 WDR5 (0.54) ALDH1A1IRAK4NR4A1NR4A2NR4A3
SCHEMBL11236886 0.78 HSD17B10 (0.61) ALDH1A1BCL2MCL1GABRA1GABRB1
SCHEMBL2172025 0.76 ALDH1A1 (0.46) ALDH1A1IRAK4KMT2AKDM4EHPGD
SCHEMBL17149188 0.76 HTT (0.39) ALDH1A1GABRA1GABRB1MEN1MAPT
SCHEMBL2297450 0.75 KMT2A (0.44) ALDH1A1IRAK4EDNRAMEN1MAPT
SCHEMBL23535357 0.75 IRAK4 (0.46) ALDH1A1MCL1IRAK4MEN1MAPT
SCHEMBL1576960 0.74 ALDH1A1 (0.47) ALDH1A1IRAK4KMT2AKDM4EHPGD
SCHEMBL9504326 0.74 CDC25B (0.50) ALDH1A1MCL1MEN1MAPTKMT2A
Water SCHEMBL21855692 0.73 ALDH1A1 (0.46) ALDH1A1IRAK4KMT2AKDM4EHPGD
SCHEMBL10942905 0.73 ALDH1A1 (0.46) ALDH1A1IRAK4KMT2AKDM4EHPGD

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-20220143183-A1 PHOTOSWITCHABLE PROTACS AND SYNTHESIS AND USES THEREOF NEW YORK UNIVERSITY 2022-05-12 — — 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-20220143183-A1 PHOTOSWITCHABLE PROTACS AND SYNTHESIS AND USES THEREOF MDM2, UBE3C, CUL1 ALDH1A1 4373/4885DHODH 3804/4885BCL2 3115/4885

“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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