SCHEMBL10002103

SCHEMBL10002103

O=C1CCCCCC=CCC=CCC=CCCO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
SHH Q15465 3/20 0.33
ATM Q13315 2/20 0.33
GLS O94925 1/20 0.31

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
SCHEMBL12483550 0.98 CA1 (0.52) CA1CA9ALDH1A1LMNATP53
SCHEMBL14232322 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL7948593 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL11137251 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL7459795 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL14125364 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL7460976 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL7948590 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL20590515 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53
SCHEMBL3818356 0.94 CA1 (0.56) CA1CA9ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165552-A1 7,10,13-CYCLOHEXADECATRIEN-16-OLIDE, AND FLAVOR OR FRAGRANCE COMPOSITION, FRAGRANCE OR COSMETIC PRODUCT, FOOD PRODUCT OR BEVERAGE OR TOILETRY PRODUCT COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-28 US disclosed
US-20120165552-A1 7,10,13-CYCLOHEXADECATRIEN-16-OLIDE, AND FLAVOR OR FRAGRANCE COMPOSITION, FRAGRANCE OR COSMETIC PRODUCT, FOOD PRODUCT OR BEVERAGE OR TOILETRY PRODUCT COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-28 US disclosed
WO-2011027906-A1 7,10,13-CYCLOHEXADECATRIEN-16-OLIDE, AND FLAVOR OR FRAGRANCE COMPOSITION, FRAGRANCE OR COSMETIC PRODUCT, FOOD PRODUCT OR BEVERAGE OR TOILETRY PRODUCT COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-10 WO 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-20120165552-A1 7,10,13-CYCLOHEXADECATRIEN-16-OLIDE, AND FLAVOR OR FRAGRANCE COMPOSITION, FRAGRANCE OR COSMETIC PRODUCT, FOOD PRODUCT OR BEVERAGE OR TOILETRY PRODUCT COMPRISING THE SAME OR10J3, TAS2R40, CUTA CA1 4786/4885CA9 2965/4885ALDH1A1 962/4885

“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.