SCHEMBL21649228

SCHEMBL21649228

CC(C)c1ccc2c(C(C)C)noc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.42
▸ TBK1 Q9UHD2 3/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ IKBKE Q14164 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ESR1 P03372 4/20 0.33
▸ ESR2 Q92731 4/20 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
SCHEMBL17807764 0.85 PTPN1 (0.40) GRM4TBK1KIF11IKBKELMNA
SCHEMBL10216187 0.81 CHRNB2 (0.41) GRM4TBK1KIF11IKBKELMNA
SCHEMBL12589310 0.81 GRM4 (0.42) GRM4LMNAALDH1A1KDM4EMAPT
SCHEMBL23478674 0.80 TBK1 (0.36) TBK1KIF11IKBKELMNAALDH1A1
SCHEMBL18687390 0.80 TRPA1 (0.40) TBK1KIF11IKBKELMNAALDH1A1
SCHEMBL28078490 0.80 GRM4 (0.41) GRM4LMNAALDH1A1KDM4EMEN1
SCHEMBL12589297 0.80 GRM4 (0.41) GRM4
SCHEMBL12589320 0.80 ESR1 (0.53) LMNAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL12546215 0.80 TBK1 (0.45) TBK1KIF11IKBKELMNAALDH1A1
SCHEMBL12589280 0.80 KMT2A (0.46) GRM4LMNAALDH1A1MEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 — — US disclosed
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 — — EP disclosed
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 — — US disclosed
US-20200029566-A1 Pesticial Compounds BASF SE (DE) 2020-01-30 — — 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 (3 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-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 GRM4 3044/4885TBK1 1867/4885KIF11 2124/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 GRM4 398/4885TBK1 4416/4885KIF11 2767/4885
US-20200029566-A1 Pesticial Compounds PNMT, DDT, NIT2 GRM4 3044/4885TBK1 1867/4885KIF11 2124/4885

“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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