SCHEMBL22057718

SCHEMBL22057718

CC1(C)CC(=O)C(=CNc2ccc(Cl)cc2)C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ GRM5 P41594 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ BUB1 O43683 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALPL P05186 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40

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
SCHEMBL13640138 0.85 KMT2A (0.49) GRM5ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL12830161 0.85 ALDH1A1 (0.43) ALDH1A1TSHRRXFP1SMN1; SMN2TP53
SCHEMBL13640157 0.84 CYP11B2 (0.40) MAOAMAOBGRM5ALDH1A1TSHR
SCHEMBL8428005 0.84 MAPT (0.51) ALDH1A1TSHRSMN1; SMN2KMT2AMAPT
SCHEMBL13640144 0.84 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL13640189 0.84 NTRK3 (0.43) ALDH1A1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL13640141 0.84 ALDH1A1 (0.60) ALDH1A1TSHRRXFP1KMT2AMAPT
SCHEMBL11109819 0.83 ALDH1A1 (0.60) MAOAMAOBALDH1A1TSHRSMN1; SMN2
SCHEMBL13640167 0.83 KMT2A (0.54) ALDH1A1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL13640458 0.82 MEN1 (0.46) ALDH1A1KMT2AMAPTHPGDMEN1

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-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-12-20 — — US disclosed
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-04 — — 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-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND ATG7, BECN1, SQSTM1 MAOA 4515/4885MAOB 4675/4885GRM5 606/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 MAOA 4515/4885MAOB 4675/4885GRM5 606/4885

“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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