SCHEMBL10022799

SCHEMBL10022799

CC/C=C/C[C@H]1C(=O)C=C[C@@H]1CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ DNTT P04053 1/20 0.37
▸ TRPA1 O75762 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ OXER1 Q8TDS5 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ UCHL3 P15374 1/20 0.31
▸ GALR3 O60755 1/20 0.30
▸ PTGER4 P35408 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
SCHEMBL11419180 1.00 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2DNTTTRPA1
SCHEMBL11419181 1.00 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2DNTTTRPA1
SCHEMBL30127903 0.84 AKR1C4 (0.50) AKR1C4AKR1C3AKR1C2DNTTTRPA1
SCHEMBL19720143 0.76 DNTT (0.57) DNTTTRPA1POLBSMN1; SMN2PTGER4
SCHEMBL19736431 0.76 DNTT (0.41) DNTTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL10629072 0.74 AKR1C4 (0.40) AKR1C4AKR1C3AKR1C2TRPA1MEN1
SCHEMBL28744721 0.74 AKR1C4 (0.40) AKR1C4AKR1C3AKR1C2TRPA1MEN1
SCHEMBL10631187 0.74 AKR1C4 (0.40) AKR1C4AKR1C3AKR1C2TRPA1MEN1
SCHEMBL2948236 0.74 PTGER4 (0.48) DNTTTRPA1MEN1ALDH1A1LMNA
SCHEMBL2948238 0.74 PTGER4 (0.48) DNTTTRPA1MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284252-B2 Use of jasmonate ester derivatives for treating benign hyperproliferative skin disorders SEPAL PHARMA LTD. (IL) 2016-03-15 — — US disclosed
US-20150080430-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD. (IL) 2015-03-19 — — US disclosed
US-20150080430-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD. (IL) 2015-03-19 — — US disclosed
US-20120083529-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD (IL) 2012-04-05 — — US disclosed
US-20120083529-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD (IL) 2012-04-05 — — US disclosed
WO-2010143180-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD. (IL) 2010-12-16 — — WO disclosed
US-20100003346-A1 COMBINATION METHODS OF TREATING CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2010-01-07 — — US disclosed
US-20100003346-A1 COMBINATION METHODS OF TREATING CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2010-01-07 — — US disclosed
WO-2009019693-A2 ANALGESIC EFFECT OF JASMONATE DERIVATIVES SEPAL PHARMA SA (FR) 2009-02-12 — — WO disclosed
WO-2008007367-A1 COMBINATION METHODS OF TREATING CANCER RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2008-01-17 — — 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 (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-20150080430-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS DGKK, KRT18, DGKG AKR1C4 488/4885AKR1C3 489/4885AKR1C2 299/4885
US-20120083529-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS MYC, KRT18, DGKK AKR1C4 390/4885AKR1C3 401/4885AKR1C2 259/4885
US-20100003346-A1 COMBINATION METHODS OF TREATING CANCER G6PD, PGD, PDK2 AKR1C4 460/4885AKR1C3 560/4885AKR1C2 368/4885

“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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