SCHEMBL5407512

SCHEMBL5407512

CCCC(C)c1cccc(C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL6838300 0.87 ANPEP (0.53) HPGDHSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL2758518 0.86 HDAC4 (0.56) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL6014470 0.85 ANPEP (0.51) HPGDHSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL19275213 0.85 PARP1 (0.47) HPGDHSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL18638708 0.83 PARP1 (0.49) TSHRPTGS1PTGS2RAB9ATAS1R3
SCHEMBL12799171 0.82 LMNA (0.43) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL27494967 0.80 HDAC4 (0.44) SMN1; SMN2KDM4EHDAC4HDAC2HDAC8
SCHEMBL20862393 0.80 HSD17B10 (0.65) TSHRHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL11600900 0.79 KMT2A (0.45) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2737366 0.78 RXRA (0.51) HPGDTSHRHSD17B10ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3624596-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD International Flavors & Fragrances Inc. (US) 2020-03-25 EP disclosed
US-20200068928-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. 2020-03-05 US disclosed
WO-2018213154-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-11-22 WO disclosed
US-7250160-B2 Jasmonic acid and jasmonic acid ester stereoisomers and compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-07-31 US disclosed
US-20030186399-A1 Bioprocess for the high-yield production of food flavor-accaptable jasmonic acid and methyl jasmonate, novel jasmonic acid isomer produced thereby and uses thereof FARBOOD MOHAMAD I (US) 2003-10-02 US disclosed
US-6458569-B1 FOOD FLAVOR ADDITIVE INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-10-01 US disclosed
US-20020110881-A1 Bioprocess for the high-yield production of food flavor-acceptable jasmonic acid and methyl jasmonate, novel jasmonic acid isomer produced thereby and uses thereof FARBOOD MOHAMAD I (US) 2002-08-15 US disclosed
US-6333180-B1 AEROBIC CULTURE OF DIPLODIA AND ISOLATION OF JASMONIC ACID PRODUCTS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-12-25 US disclosed
EP-1118672-A2 Production of food flavor-acceptable jasmonic acid and methyl jasmonate by Diplodia gossypina INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2001-07-25 EP 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-20020110881-A1 Bioprocess for the high-yield production of food flavor-acceptable jasmonic acid and methyl jasmonate, novel jasmonic acid isomer produced thereby and uses thereof FDPS, DHPS, GGPS1 HPGD 50/4885TSHR 3763/4885HSD17B10 234/4885

“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.