SCHEMBL487348

SCHEMBL487348

O=C1CCCCC1C=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 2/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL17439628 0.94 MCL1 (0.40) MCL1MAPTALDH1A1LMNAKDM4E
SCHEMBL28534847 0.94 MCL1 (0.40) MCL1MAPTALDH1A1LMNAKDM4E
SCHEMBL17439629 0.91 MCL1 (0.38) MCL1MAPTALDH1A1LMNAKDM4E
SCHEMBL8530826 0.78 FBP1 (0.45)
SCHEMBL28442251 0.77 LMNA (0.49) MAPTALDH1A1LMNAKDM1AMAPK1
SCHEMBL10776462 0.73 LMNA (0.41) MAPTALDH1A1LMNAKDM1AHPGD
SCHEMBL5413534 0.72 LMNA (0.39) MAPTALDH1A1LMNAKDM1AHPGD
SCHEMBL10406119 0.72 GSTP1 (0.48) MCL1MAPTALDH1A1KDM4EHPGD
SCHEMBL10406117 0.72 GSTP1 (0.48) MCL1MAPTALDH1A1KDM4EHPGD
SCHEMBL4787524 0.72 MAPT (0.50) MAPTALDH1A1LMNAKDM1AHPGD

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-111417669-A Fluorine-containing active energy ray-curable resin, liquid repellent, resin composition containing same, and cured film DIC株式会社 2020-07-14 CN disclosed
EP-1178031-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE DAICEL CHEM (JP) 2012-02-01 EP disclosed
US-6548713-B2 Efficiently producing a compound having an alkyl group or alkenyl group bonded at the alpha position of an electron attractive group, by catalytic radical addition reaction with compound of Group 5,6,7,8, or 9 DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-15 US disclosed
US-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-07 US disclosed
EP-1178031-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE Daicel Chemical Industries, Ltd. (JP) 2002-02-06 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-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like SOD1, CAT, SOD3 MCL1 1268/4885MAPT 2030/4885ALDH1A1 1198/4885

“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.