SCHEMBL7197296

SCHEMBL7197296

COc1cc(O)ccc1CCC(=O)c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.69
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B3 P37058 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL31473116 1.00 F2 (0.69) F2MEN1KMT2AHSD17B3NPC1
SCHEMBL29367779 0.91 F2 (0.60) F2NPC1RAB9A
SCHEMBL7187176 0.91 F2 (0.60) F2NPC1RAB9A
SCHEMBL7198317 0.91 F2 (0.63) F2MEN1KMT2ANPC1RAB9A
Methyl Alcohol SCHEMBL28295371 0.90 F2 (0.58) F2NPC1RAB9A
SCHEMBL7194539 0.83 MEN1 (0.55) F2MEN1KMT2AHSD17B3NPC1
SCHEMBL4841064 0.83 POLB (0.62) F2MEN1KMT2A
SCHEMBL4316064 0.82 POLB (0.70) F2NPC1RAB9A
SCHEMBL31237171 0.82 POLB (0.70) F2NPC1RAB9A
SCHEMBL435484 0.81 F2 (0.49) F2MEN1KMT2A

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed
CN-106265612-A Lourerin C application in preparation preventing and treating central nervous system disease medicine 沈阳药科大学 2017-01-04 CN 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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 F2 499/4885MEN1 3878/4885KMT2A 4485/4885

“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.