SCHEMBL3260879

SCHEMBL3260879

NC1=C(C(=O)c2ccccc2)C(=O)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
PBRM1 Q86U86 1/20 0.41
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
XBP1 P17861 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRD5A2 P31213 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL8588451 0.81 SMN1; SMN2 (0.54) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL10192812 0.79 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHPGDHSD17B10
SCHEMBL5167640 0.73 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL3522023 0.69 MAPT (0.55) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL28178057 0.69 ALDH1A1 (0.59) ALDH1A1GAAL3MBTL1ATMTDP1
SCHEMBL2905392 0.68 ALDH1A1 (0.42) ALDH1A1MAPTLMNAGAAHPGD
Benzophenone SCHEMBL27766299 0.68 ALDH1A1 (0.82) ALDH1A1MAPTLMNAHPGDPBRM1
SCHEMBL2897987 0.67 ALDH1A1 (0.45) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL14445502 0.66 HPD (0.56) ALDH1A1MAPTLMNAHSD17B10HTT
SCHEMBL17372132 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249813-B1 CERTAIN SUBSTITUTED 3-AMINO-2-BENZOYLCYCLOHEX-2-ENONES STAUFFER CHEMICAL COMPANY (US) 1991-07-24 EP claimed
US-4775411-A HERBICIDES STAUFFER CHEMICA COMPANY (US) 1988-10-04 US claimed
EP-0249813-A1 Certain substituted 3-amino-2-benzoylcyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1987-12-23 EP claimed
US-7670991-B2 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER CROPSCIENCE AG (DE) 2010-03-02 US disclosed
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-02 US disclosed
EP-0249813-B1 CERTAIN SUBSTITUTED 3-AMINO-2-BENZOYLCYCLOHEX-2-ENONES STAUFFER CHEMICAL COMPANY (US) 1991-07-24 EP disclosed
EP-0249813-B1 CERTAIN SUBSTITUTED 3-AMINO-2-BENZOYLCYCLOHEX-2-ENONES STAUFFER CHEMICAL COMPANY (US) 1991-07-24 EP disclosed
US-4775411-A HERBICIDES STAUFFER CHEMICA COMPANY (US) 1988-10-04 US disclosed
US-4775411-A HERBICIDES STAUFFER CHEMICA COMPANY (US) 1988-10-04 US disclosed
EP-0249813-A1 Certain substituted 3-amino-2-benzoylcyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1987-12-23 EP disclosed
EP-0249813-A1 Certain substituted 3-amino-2-benzoylcyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1987-12-23 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-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents DDT, CYP1B1, CYP1A1 ALDH1A1 291/4885MAPT 4728/4885LMNA 2138/4885

“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.