SCHEMBL19599505

SCHEMBL19599505

COC(C)(C)CCC[C@H](C)C/C=C/C=C/C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ACHE P22303 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ TBXAS1 P24557 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPT P10636 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
SCHEMBL11846280 1.00 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4TDP1ACHE
SCHEMBL11839580 1.00 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4TDP1ACHE
SCHEMBL11841421 0.87 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11841417 0.87 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4TDP1
SCHEMBL15609240 0.85 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4TDP1ACHE
SCHEMBL15609241 0.85 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4TDP1ACHE
SCHEMBL11849203 0.85 ALDH1A1 (0.70) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11849196 0.85 ALDH1A1 (0.70) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11872547 0.84 ALDH1A1 (0.67) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11872541 0.84 ALDH1A1 (0.67) ALDH1A1LMNACYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170325457-A1 FORMULATIONS FOR THE DELIVERY OF ACTIVE AGENTS TO INSECTS, PLANTS, AND PLANT PATHOGENS Preceres Inc. (US) 2017-11-16 — — US disclosed
US-20170325457-A1 FORMULATIONS FOR THE DELIVERY OF ACTIVE AGENTS TO INSECTS, PLANTS, AND PLANT PATHOGENS Preceres Inc. (US) 2017-11-16 — — 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-20170325457-A1 FORMULATIONS FOR THE DELIVERY OF ACTIVE AGENTS TO INSECTS, PLANTS, AND PLANT PATHOGENS NSF, GET3, SLC47A2 ALDH1A1 4714/4885LMNA 3934/4885CYP3A4 4388/4885

“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.

Send feedback