SCHEMBL21486330

SCHEMBL21486330

C/C(=C\CO)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TRPV1 Q8NER1 2/20 0.48
KEAP1 Q14145 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
FFAR1 O14842 1/20 0.44
LSS P48449 1/20 0.43
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.41
UGT1A1 P22309 1/20 0.41
GPR52 Q9Y2T5 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
SCHEMBL29572084 1.00 ALDH1A1 (0.53) ALDH1A1TRPV1KEAP1TDP1FFAR1
SCHEMBL28415205 0.93 TRPV1 (0.54) ALDH1A1TRPV1KEAP1TDP1LSS
SCHEMBL2813151 0.89 FFAR1 (0.53) ALDH1A1TRPV1FFAR1LSSHDAC2
SCHEMBL29408009 0.86 ALDH1A1 (0.55) ALDH1A1TRPV1KEAP1TDP1FFAR1
SCHEMBL29105881 0.84 ALDH1A1 (0.53) ALDH1A1TRPV1KEAP1TDP1FFAR1
SCHEMBL14672153 0.82 FFAR1 (0.42) ALDH1A1TDP1FFAR1MEN1CYP3A4
SCHEMBL8619944 0.82 ALDH1A1 (0.47) ALDH1A1TRPV1KEAP1TDP1FFAR1
SCHEMBL8619950 0.82 ALDH1A1 (0.47) ALDH1A1TRPV1KEAP1TDP1FFAR1
Geraniol SCHEMBL16245841 0.81 KMT2A (0.59) ALDH1A1TRPV1TDP1LSSMEN1
Geraniol SCHEMBL16245843 0.81 KMT2A (0.59) ALDH1A1TRPV1TDP1LSSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908566-B1 PREPARATION OF 5-ARYL PENTANOLS BASF SE (DE) 2023-07-26 EP disclosed
EP-3908566-A1 PREPARATION OF 5-ARYL-PENTANOLS BASF SE (DE) 2021-11-17 EP disclosed
US-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-06-03 US disclosed
WO-2020144307-A1 PREPARATION OF 5-ARYL-PENTANOLS BASF SE (DE) 2020-07-16 WO disclosed
WO-2019199667-A2 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE KEANEY GREGG F (US) 2019-10-17 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 (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-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 ALDH1A1 3225/4885TRPV1 4524/4885KEAP1 883/4885

“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.