SCHEMBL1237573

SCHEMBL1237573

O=C1CCCCC1C1(O)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.34
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
MAPT P10636 2/20 0.32
CYP19A1 P11511 2/20 0.31
CA6 P23280 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL706323 0.98 HTT (0.54) HTTCA1CA2CA4POLB
SCHEMBL1238035 0.98 HTT (0.54) HTTCA1CA2CA4POLB
SCHEMBL11795248 0.98 HTT (0.54) HTTCA1CA2CA4POLB
SCHEMBL1237599 0.94 HTT (0.45) HTTCA1CA2CA4POLB
SCHEMBL1238230 0.92 HTT (0.47) HTTCA1CA2CA4POLB
SCHEMBL3397059 0.85 HTT (0.38) HTTPOLBCYP3A4CYP2C19LMNA
SCHEMBL9998883 0.80 HTT (0.41) HTTCA1CA2CA4POLB
SCHEMBL706322 0.77 HTT (0.50) HTTCA1CA2CA4POLB
SCHEMBL11799503 0.77 HTT (0.50) HTTCA1CA2CA4POLB
SCHEMBL18412340 0.76 HTT (0.40) HTTCA1CA2CA4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409486-A1 COMPOUND PRODUCING METHOD INCLUDING STEP OF ISOMERIZING ALPHA, BETA-UNSATURATED KETONE KAO CORPORATION (JP) 2024-12-12 US disclosed
WO-2023063030-A1 COMPOUND PRODUCING METHOD INCLUDING STEP FOR ISOMERIZING α,β-UNSATURATED KETONE 花王株式会社 2023-04-20 WO disclosed
EP-2487150-B1 PROCESS FOR PRODUCING A LACTONE KAO CORP (JP) 2016-12-28 EP disclosed
EP-2266943-B1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE KAO CORP (JP) 2016-11-16 EP disclosed
US-8394994-B2 Method for producing of 2-alkyl-2-cycloalken-1-one KAO CORPORATION (JP) 2013-03-12 US disclosed
EP-2487150-A1 PROCESS FOR PRODUCING 2-ALKYLCYCLOALKANONE Kao Corporation (JP) 2012-08-15 EP disclosed
US-20110034722-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE KAO CORPORATION (JP) 2011-02-10 US disclosed
EP-2266943-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE Kao Corporation (JP) 2010-12-29 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 (2 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-20240409486-A1 COMPOUND PRODUCING METHOD INCLUDING STEP OF ISOMERIZING ALPHA, BETA-UNSATURATED KETONE CBR1, AKR1B1, AKR1C1 HTT 4031/4885CA1 136/4885CA2 929/4885
US-20110034722-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE PAOX, CYP1A1, ADH1A HTT 3359/4885CA1 194/4885CA2 353/4885

“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.