SCHEMBL21927844

SCHEMBL21927844

CC(C)c1ccc(-c2cc(C(C)C)n(C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 12/20 0.42
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL19203749 0.88 MAPT (0.48) TP53LMNAKDM4EMEN1NPC1
SCHEMBL23329066 0.86 TMEM97 (0.44) PHGDHUSP2TP53CYP1A2CYP2C9
SCHEMBL14263740 0.86 PHGDH (0.46) PHGDHTP53CYP1A2CYP2C9LMNA
SCHEMBL4547930 0.85 PHGDH (0.49) PHGDHRAB9AKMT2A
SCHEMBL11886210 0.85 KMO (0.43) PHGDHCYP1A2CYP2C9KMT2ASIGMAR1
SCHEMBL11965497 0.84 MAPT (0.45) PHGDHLMNAKDM4EMEN1NPC1
SCHEMBL19105638 0.82 GSK3B (0.41) PHGDH
SCHEMBL2557541 0.82 DHODH (0.40) PHGDHUSP2TP53CYP1A2CYP2C9
SCHEMBL4692313 0.79 PTPN1 (0.56) PHGDHUSP2TP53CYP1A2CYP2C9
SCHEMBL24120006 0.78 MAPT (0.41) USP2TP53CYP1A2CYP2C9ALOX15

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-20210395243-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-12-23 — — US disclosed
EP-3643705-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2020-04-29 — — EP 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-20210395243-A1 PESTICIDAL COMPOUNDS NIT2, PNMT, DDT PHGDH 2353/4885USP2 2422/4885TP53 4751/4885

“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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