SCHEMBL22242559

SCHEMBL22242559

C=C(C)[C@H]1CCC(=C)[C@]2(CCC(=O)C2C)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL22228955 1.00 CYP2C19 (0.42) CYP2C19LMNATSHRTRPA1CYP3A4
SCHEMBL22242500 0.77 CYP2C19 (0.41) CYP2C19LMNATSHRTRPA1CYP3A4
SCHEMBL22242503 0.77 CYP2C19 (0.41) CYP2C19LMNATSHRTRPA1CYP3A4
SCHEMBL22228963 0.77 CYP2C19 (0.41) CYP2C19LMNATSHRTRPA1CYP3A4
SCHEMBL30105471 0.74 CYP2C19 (0.40) CYP2C19LMNATSHRTRPA1ALOX15
5Alpha-Hydroxy-14-Eudesm-11-En-3-One SCHEMBL24483235 0.72 CYP2C19 (0.39) CYP2C19
5Alpha-Hydroxy-14-Eudesm-11-En-3-One SCHEMBL24483206 0.72 CYP2C19 (0.39) CYP2C19
SCHEMBL22242502 0.70 CYP2C19 (0.37) CYP2C19LMNATSHRTRPA1ALOX15
SCHEMBL22242504 0.70 CYP2C19 (0.37) CYP2C19LMNATSHRTRPA1ALOX15
SCHEMBL22228948 0.70 CYP2C19 (0.37) CYP2C19LMNATSHRTRPA1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200229474-A1 NOVEL SPIROSESQUITERPENE COMPOUND, FLAVORING COMPOSITION AND FOOD/DRINK CONTAINING SAID COMPOUND, AND METHOD FOR PRODUCING SAID FOOD/DRINK TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-07-23 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 (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-20200229474-A1 NOVEL SPIROSESQUITERPENE COMPOUND, FLAVORING COMPOSITION AND FOOD/DRINK CONTAINING SAID COMPOUND, AND METHOD FOR PRODUCING SAID FOOD/DRINK TAS2R20, TAS2R5, TAS2R13 CYP2C19 3442/4885LMNA 1871/4885TSHR 3165/4885

“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.