SCHEMBL403121

SCHEMBL403121

CCc1ccc(Br)cc1C1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C=C[C@@H]2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 2/20 0.40
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.31
POLB P06746 2/20 0.31
P2RX7 Q99572 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL403551 1.00 L3MBTL1 (0.40) L3MBTL1ATMTSHRLMNAHPGD
SCHEMBL447513 1.00 L3MBTL1 (0.40) L3MBTL1ATMTSHRLMNAHPGD
SCHEMBL405704 0.91 SMN1; SMN2 (0.35) L3MBTL1ATMTSHRLMNAHPGD
SCHEMBL407767 0.91 SMN1; SMN2 (0.35) L3MBTL1ATMTSHRLMNAHPGD
SCHEMBL446693 0.87 LMNA (0.38) L3MBTL1TSHRLMNAHPGDSMN1; SMN2
SCHEMBL403031 0.87 LMNA (0.38) L3MBTL1TSHRLMNAHPGDSMN1; SMN2
SCHEMBL448707 0.83 LMNA (0.35) L3MBTL1TSHRLMNAHPGDSMN1; SMN2
SCHEMBL407231 0.83 LMNA (0.35) L3MBTL1TSHRLMNAHPGDSMN1; SMN2
SCHEMBL405703 0.83 LMNA (0.35) L3MBTL1TSHRLMNAHPGDSMN1; SMN2
SCHEMBL3036820 0.82 TSHR (0.37) L3MBTL1TSHRLMNAHPGDSMN1; SMN2

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-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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 (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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 L3MBTL1 1453/4885ATM 3729/4885TSHR 1306/4885

“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.