SCHEMBL17419981

SCHEMBL17419981

CC1=C(C(C)C)C(=O)CC(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL17419746 0.84 PTGES (0.33) PTGESALOX5
SCHEMBL17419676 0.82
SCHEMBL11625099 0.77 ALDH1A1 (0.31)
SCHEMBL17419523 0.71
SCHEMBL17419522 0.71 ALDH1A1 (0.32)
SCHEMBL3154825 0.70 DUSP3 (0.34)
SCHEMBL17231977 0.69
SCHEMBL3162802 0.68
SCHEMBL17419871 0.68
SCHEMBL17419561 0.67 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10299476-B2 3′-substituted-abscisic acid derivatives VALENT BIOSCIENCES LLC (US) 2019-05-28 US disclosed
US-10299476-B2 3′-substituted-abscisic acid derivatives VALENT BIOSCIENCES LLC (US) 2019-05-28 US disclosed
US-20170360037-A1 3′-SUBSTITUTED-ABSCISIC ACID DERIVATIVES VALENT BIOSCIENCES LLC (US) 2017-12-21 US disclosed
US-20170360037-A1 3′-SUBSTITUTED-ABSCISIC ACID DERIVATIVES VALENT BIOSCIENCES LLC (US) 2017-12-21 US disclosed
US-20170360037-A1 3′-SUBSTITUTED-ABSCISIC ACID DERIVATIVES VALENT BIOSCIENCES LLC (US) 2017-12-21 US disclosed
US-9781930-B2 3′-substituted-abscisic acid derivatives VALENT BIOSCIENCES LLC (US) 2017-10-10 US disclosed
US-9781930-B2 3′-substituted-abscisic acid derivatives VALENT BIOSCIENCES LLC (US) 2017-10-10 US disclosed
US-9781930-B2 3′-substituted-abscisic acid derivatives VALENT BIOSCIENCES LLC (US) 2017-10-10 US disclosed
US-20160007598-A1 3'-SUBSTITUTED-ABSCISIC ACID DERIVATIVES VALENT BIOSCIENCES CORPORATION 2016-01-14 US disclosed
US-20160007598-A1 3'-SUBSTITUTED-ABSCISIC ACID DERIVATIVES VALENT BIOSCIENCES CORPORATION 2016-01-14 US disclosed
US-20160007598-A1 3'-SUBSTITUTED-ABSCISIC ACID DERIVATIVES VALENT BIOSCIENCES CORPORATION 2016-01-14 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 (3 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-20170360037-A1 3′-SUBSTITUTED-ABSCISIC ACID DERIVATIVES BROX, BOLA2; BOLA2B, COASY PTPN1 3461/4885PTGES 2063/4885ALOX5 1982/4885
US-20160007598-A1 3'-SUBSTITUTED-ABSCISIC ACID DERIVATIVES BROX, BOLA2; BOLA2B, COASY PTPN1 3485/4885PTGES 2055/4885ALOX5 2047/4885
US-10299476-B2 3′-substituted-abscisic acid derivatives BROX, BOLA2; BOLA2B, COASY PTPN1 3461/4885PTGES 2063/4885ALOX5 1982/4885

“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.