SCHEMBL23940774

SCHEMBL23940774

CCc1cc(-c2ccccc2)c(CC)c(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
RCE1 Q9Y256 1/20 0.36
BACE1 P56817 1/20 0.36
HNF4A P41235 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL23940775 0.89 PTPN1 (0.42) BCL2L1
SCHEMBL21177982 0.80 PDE4B (0.42) PTPN5GABRA1GABRB2HDAC4HDAC2
SCHEMBL2870897 0.79 HDAC4 (0.44) PTPN5PDCD1CD274GABRA1GABRB2
SCHEMBL28689603 0.77 HDAC4 (0.48) PTPN5PDCD1CD274GABRA1GABRB2
SCHEMBL11022297 0.76 PTPN1 (0.42) PTPN5GABRA1GABRB2HDAC4HDAC2
SCHEMBL14781410 0.75 PTPN5 (0.48) PTPN5GABRA1GABRB2HDAC4HDAC2
SCHEMBL25144837 0.75 LTB4R (0.42) PDCD1CD274HDAC4HDAC2HDAC8
SCHEMBL10911038 0.73 GABRA1 (0.61) PTPN5PDCD1CD274GABRA1GABRB2
SCHEMBL4529436 0.73 SMN1; SMN2 (0.38) PDCD1CD274POLBRECQLSMN1; SMN2
SCHEMBL23940765 0.73 ESR1 (0.42) PTPN5GABRA1GABRB2POLBRECQL

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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 PTPN5 2376/4885PDCD1 4125/4885CD274 3730/4885

“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.