SCHEMBL3243153

SCHEMBL3243153

c1ccc(-c2cc3ccccc3c(-c3cccc4ccccc34)c2O[Al](Oc2c(-c3ccccc3)cc3ccccc3c2-c2cccc3ccccc23)Oc2c(-c3ccccc3)cc3ccccc3c2-c2cccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
MPI P34949 1/20 0.41
ALOX5 P09917 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29365956 1.00 GPR84 (0.42) GPR84KDM4EMEN1KMT2AHPGD
SCHEMBL3246195 0.89 GPR84 (0.45) GPR84HPGDALDH1A1TSHRMAPK1
SCHEMBL30022214 0.78 MEN1 (0.49) GPR84KDM4EMEN1KMT2AHPGD
SCHEMBL17442110 0.78 MEN1 (0.49) GPR84KDM4EMEN1KMT2AHPGD
Biphenyl SCHEMBL28230506 0.76 CES1 (0.49) GPR84KDM4EMEN1KMT2AHPGD
SCHEMBL2528988 0.75 MEN1 (0.54) GPR84KDM4EMEN1KMT2AHPGD
SCHEMBL3246174 0.74 DHFR (0.42) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL29220862 0.73 CES1 (0.56) GPR84KDM4EMEN1KMT2AHPGD
SCHEMBL30006027 0.72 DNMT1 (0.48) GPR84KDM4EMEN1KMT2AHPGD
SCHEMBL18260187 0.72 DNMT1 (0.48) GPR84KDM4EMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225163-B1 Process for producing isopulegol TAKASAGO PERFUMERY CO LTD (JP) 2010-07-28 EP disclosed
US-6774269-B2 CYCLIZATION OF CITRONELLAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-10 US disclosed
US-20020133046-A1 Process for producing isopulegol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-19 US disclosed
EP-1225163-A2 Process for producing isopulegol Takasago International Corporation (JP) 2002-07-24 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-20020133046-A1 Process for producing isopulegol ACSL3, ACSL1, ACSL6 GPR84 3923/4885KDM4E 4427/4885MEN1 2116/4885

“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.