SCHEMBL3246174

SCHEMBL3246174

Cc1cc(C)c(-c2cccc3ccccc23)c(O[Al](Oc2c(-c3cccc4ccccc34)c(C)cc(C)c2-c2cccc3ccccc23)Oc2c(-c3cccc4ccccc34)c(C)cc(C)c2-c2cccc3ccccc23)c1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 3/20 0.41
KDM4E B2RXH2 2/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3B P49841 1/20 0.38
ADK P55263 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
BRD4 O60885 1/20 0.35
TSHR P16473 1/20 0.35
TYMP P19971 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3241084 0.81 NPC1 (0.34) ALDH1A1KDM4EGAACYP1A2HPGD
SCHEMBL2534631 0.76 ALDH1A1 (0.47) DHFRALDH1A1CYP2A6KDM4ECYP1A2
SCHEMBL20609436 0.75 CYP2A6 (0.55) DHFRALDH1A1CYP2A6KDM4EALPL
SCHEMBL3243153 0.74 GPR84 (0.42) ALDH1A1KDM4EALPLGAAHPGD
SCHEMBL29365956 0.74 GPR84 (0.42) ALDH1A1KDM4EALPLGAAHPGD
SCHEMBL7699015 0.73 MAPT (0.46) DHFRALDH1A1CYP2A6CYP1A2HPGD
SCHEMBL2380805 0.73 CYP2A6 (0.52) DHFRALDH1A1CYP2A6KDM4EALPL
SCHEMBL262434 0.73 CYP2A6 (0.52) DHFRALDH1A1CYP2A6KDM4EALPL
SCHEMBL29416646 0.73 CYP2A6 (0.52) DHFRALDH1A1CYP2A6KDM4EALPL
SCHEMBL1132842 0.73 CYP2A6 (0.62) DHFRALDH1A1CYP2A6KDM4ECYP1A2

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 DHFR 2623/4885ALDH1A1 135/4885CYP2A6 15/4885

“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.