SCHEMBL23699808

SCHEMBL23699808

Oc1c(Br)cc(Cl)cc1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ERN1 O75460 1/20 0.41
PTGDR2 Q9Y5Y4 9/20 0.39
PTGDR Q13258 6/20 0.39
PTGER2 P43116 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
GCGR P47871 1/20 0.35
CEL P19835 1/20 0.34
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL7723661 0.81 TSHR (0.48) KDM4EMEN1MAPTKMT2AERN1
SCHEMBL28782645 0.81 MEN1 (0.63) KDM4EMEN1MAPTKMT2AERN1
SCHEMBL4612055 0.79 MEN1 (0.60) KDM4EMEN1MAPTKMT2AERN1
SCHEMBL11774790 0.76 PTGDR2 (0.40) KDM4EMEN1MAPTKMT2APTGDR2
SCHEMBL9249778 0.76 AKR1C4 (0.53) KDM4EMEN1MAPTKMT2APTGDR2
SCHEMBL2353146 0.75 ERN1 (0.56) KDM4EMEN1MAPTKMT2AERN1
SCHEMBL12459032 0.75 PTGDR2 (0.40) KDM4EMEN1MAPTKMT2AERN1
SCHEMBL23699810 0.73 GCGR (0.46) KDM4EMEN1MAPTKMT2APTGDR2
SCHEMBL23699825 0.72 PTPN5 (0.46) KDM4EMEN1MAPTKMT2APTGDR2
SCHEMBL23699823 0.72 PTPN5 (0.46) KDM4EMEN1MAPTKMT2APTGDR2

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-11225448-B2 Method for manufacturing isopulegol TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-01-18 US disclosed
US-20210238115-A1 METHOD FOR MANUFACTURING ISOPULEGOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-08-05 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 (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-11225448-B2 Method for manufacturing isopulegol ACSL3, ACSL1, SQLE KDM4E 3501/4885MEN1 267/4885MAPT 2330/4885
US-20210238115-A1 METHOD FOR MANUFACTURING ISOPULEGOL ACSL3, ACSL1, SQLE KDM4E 3501/4885MEN1 267/4885MAPT 2330/4885

“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.