SCHEMBL231952

SCHEMBL231952

O=C(/C=C\C(=O)Oc1nccc2ccccc12)Oc1nccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.43
TRPA1 O75762 1/20 0.42
PLAU P00749 2/20 0.42
CYP2A6 P11509 1/20 0.42
F12 P00748 1/20 0.42
NCF1 P14598 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
LMNA P02545 2/20 0.41
CNR2 P34972 4/20 0.41
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL4353465 0.84 KLK5 (0.51) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL761986 0.83 KLK5 (0.50) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL27220785 0.83 KLK5 (0.53) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL2230387 0.81 KLK5 (0.49) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL5716801 0.81 KLK5 (0.49) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL28198079 0.81 KLK5 (0.49) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL523707 0.81 KLK5 (0.49) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL28197980 0.79 KLK5 (0.47) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL28855596 0.79 KLK5 (0.47) KLK5NCOA3TRPA1PLAUCYP2A6
SCHEMBL6859491 0.78 CNR2 (0.52) KLK5NCOA3TRPA1PLAUCYP2A6

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
CN-112010859-B Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2022-07-19 CN disclosed
CN-112010859-A Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2020-12-01 CN disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 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-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 KLK5 818/4885NCOA3 503/4885TRPA1 4693/4885

“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.