SCHEMBL9702910

SCHEMBL9702910

CCCOc1cc(OCCC)cc(C(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.56
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 1/20 0.48
PLK1 P53350 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
NR1H4 Q96RI1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
CREBBP Q92793 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL21110477 0.96 KMT2A (0.54) PLA2G2AKMT2AL3MBTL1GAAPLK1
SCHEMBL9970987 0.90 PLA2G2A (0.64) PLA2G2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL11387851 0.89 PLA2G2A (0.72) PLA2G2AKMT2AL3MBTL1GAABLM
SCHEMBL22779381 0.88 KAT6A (0.53) PLA2G2AKMT2AL3MBTL1GAAPLK1
SCHEMBL10498963 0.87 PLA2G2A (0.75) PLA2G2AL3MBTL1GAABLM
SCHEMBL9402858 0.87 PLA2G2A (0.75) PLA2G2AL3MBTL1GAABLM
SCHEMBL19565362 0.87 PLA2G2A (0.75) PLA2G2AL3MBTL1GAABLM
SCHEMBL10497457 0.87 PLA2G2A (0.75) PLA2G2AL3MBTL1GAABLM
SCHEMBL23352165 0.84 PLA2G2A (0.77) PLA2G2AKMT2AL3MBTL1PLK1MEN1
SCHEMBL9701615 0.83 KMT2A (0.59) PLA2G2AKMT2AL3MBTL1PLK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104974135-B Targeting DNA has the Sai-Mi-Xi-Bu derivative containing benzene-naphthalene diimide structure of antitumor activity, pharmaceutical composition and its preparation method and application 河北大学 2017-03-08 CN claimed
US-20230139366-A1 BRARTEMICIN ANALOGUES VICTORIA LINK LIMITED (NZ) 2023-05-04 US disclosed
CN-104974135-B Targeting DNA has the Sai-Mi-Xi-Bu derivative containing benzene-naphthalene diimide structure of antitumor activity, pharmaceutical composition and its preparation method and application 河北大学 2017-03-08 CN disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
US-4245093-A BY BROMINATION OF ALKANOYLOXYACETOPHENONES POST-TREATED WITH A TRIALKYL PHOSPHITE INHIBITS POLYBROMINATED BY-PRODUCTS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-13 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-20230139366-A1 BRARTEMICIN ANALOGUES RXFP1, RXFP2, RXFP4 PLA2G2A 1183/4885KMT2A 2674/4885L3MBTL1 4715/4885

“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.