SCHEMBL6448320

SCHEMBL6448320

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

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.75
▸ LMNA P02545 1/20 0.75
▸ CYP3A4 P08684 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ RXRA P19793 10/20 0.35
▸ RXRG P48443 9/20 0.34
▸ RXRB P28702 8/20 0.34
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ KDM1A O60341 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
SCHEMBL3052151 1.00 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL27858356 1.00 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL7206440 1.00 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL6114467 1.00 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL3052148 1.00 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11500290 1.00 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1RXRA
Acetamide SCHEMBL28686196 0.96 ALDH1A1 (0.70) ALDH1A1LMNACYP3A4TDP1RXRA
Acetamide SCHEMBL28932784 0.96 ALDH1A1 (0.70) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11862944 0.93 ALDH1A1 (0.65) ALDH1A1LMNACYP3A4TDP1RXRA
SCHEMBL11862939 0.93 ALDH1A1 (0.65) ALDH1A1LMNACYP3A4TDP1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010021378-A1 Pesticide SYNGENTA CROP PROTECTION, INC. 2001-09-13 — — US claimed
EP-0909130-A1 PESTICIDE Novartis AG (CH) 1999-04-21 — — EP claimed
WO-1997042815-A1 PESTICIDE NOVARTIS AG (CH) 1997-11-20 — — WO claimed
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 — — EP disclosed
US-6500416-B2 FLUID FLOW; INSECTICIDE; MITICIDE SYNGENTA CROP PROTECTION, INC. 2002-12-31 — — US disclosed
US-20010021378-A1 Pesticide SYNGENTA CROP PROTECTION, INC. 2001-09-13 — — US disclosed
EP-0909130-A1 PESTICIDE Novartis AG (CH) 1999-04-21 — — EP disclosed
WO-1997042815-A1 PESTICIDE NOVARTIS AG (CH) 1997-11-20 — — 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-20010021378-A1 Pesticide DDT, KISS1R, ACHE ALDH1A1 437/4885LMNA 3611/4885CYP3A4 1951/4885

“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.

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