SCHEMBL3236809

SCHEMBL3236809

Cc1cc(C)c(-c2ccccc2C(C)C)c(O[Al](Oc2c(-c3ccccc3C(C)C)c(C)cc(C)c2-c2ccccc2C(C)C)Oc2c(-c3ccccc3C(C)C)c(C)cc(C)c2-c2ccccc2C(C)C)c1-c1ccccc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
TRPA1 O75762 1/20 0.35
ESR1 P03372 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
LMNA P02545 2/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3241084 0.81 NPC1 (0.34) TRPA1ESR1LMNATP53CYP1A2
SCHEMBL2532344 0.76 GABRA1 (0.47) DHFRTRPA1CA12CA1CA2
SCHEMBL3246174 0.74 DHFR (0.42) DHFRCA12CA1CA2CA9
SCHEMBL3240709 0.72 PDE4B (0.37) LMNACYP3A4MAPT
SCHEMBL3742592 0.70 GABRA1 (0.46) CA1CA2GABRA1GABRB2LMNA
SCHEMBL27843091 0.69 LMNA (0.50) DHFRTRPA1CA12CA1CA2
SCHEMBL10457926 0.68 DHFR (0.44) DHFRESR1CA12CA1CA2
SCHEMBL167078 0.67 GABRA1 (0.55) DHFRTRPA1CA12CA1CA2
SCHEMBL29414063 0.67 GABRA1 (0.55) DHFRTRPA1CA12CA1CA2
SCHEMBL6314140 0.67 DHFR (0.45) DHFRTRPA1ESR1CA12CA1

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 2623/4885TRPA1 1219/4885ESR1 1853/4885

“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.