SCHEMBL25950783

SCHEMBL25950783

CCCC(=O)c1cc(Cl)cc(C(C)(C)C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TCF4 P15884 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ NOS2 P35228 2/20 0.33
▸ THRB P10828 3/20 0.33

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
SCHEMBL8599852 0.81 TSHR (0.49) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL25950800 0.78 NR1H4 (0.36) ALDH1A1ALOX15TDP1LMNACYP3A4
SCHEMBL25952739 0.78 CYP3A4 (0.53) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL25952613 0.76 MAPK1 (0.43) TSHRALDH1A1HPGDLMNAKDM4E
SCHEMBL17804319 0.72 L3MBTL1 (0.41) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL15870998 0.70 HPGD (0.53) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL5570026 0.69 ERCC5 (0.57) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL17804320 0.69 CYP3A4 (0.47) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL11285848 0.69 ALDH1A1 (0.47) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL9740389 0.69 LMNA (0.41) TSHRALDH1A1HPGDALOX15RECQL

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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 — — US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 — — 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 (2 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B TSHR 4759/4885ALDH1A1 2504/4885HPGD 681/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B TSHR 4759/4885ALDH1A1 2504/4885HPGD 681/4885

“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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