SCHEMBL18320262

SCHEMBL18320262

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
KDM4E B2RXH2 3/20 0.34
HPGD P15428 4/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 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
SCHEMBL16931254 0.79 GAA (0.41) KDM4EHPGDGAAALDH1A1LMNA
SCHEMBL2241228 0.74 ALDH1A1 (0.50) KDM4EHPGDGAAALDH1A1LMNA
SCHEMBL18220609 0.71
SCHEMBL5911639 0.68 LMNA (0.47) KDM4EHPGDGAAALDH1A1LMNA
SCHEMBL31756597 0.67 ALDH1A1 (0.33) HPGDGAAALDH1A1KMT2AMEN1
SCHEMBL1744112 0.64
SCHEMBL1786936 0.64 HDAC9 (0.44) FFAR3LMNA
Hydrochloric Acid SCHEMBL9526798 0.63 HDAC9 (0.43) FFAR3LMNA
SCHEMBL664817 0.63 ESR2 (0.31)
SCHEMBL16426789 0.61 FFAR3 (0.41) FFAR3KDM4EALDH1A1SMN1; SMN2TSHR

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-3310775-B1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma AG (DE) 2020-04-01 EP disclosed
US-10227299-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-12 US disclosed
US-20180155285-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-07 US disclosed
EP-3310775-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-25 EP disclosed
WO-2016202755-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 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 (2 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-10227299-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones MYC, HCCS, MCL1 FFAR3 4019/4885KDM4E 919/4885HPGD 820/4885
US-20180155285-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES HCCS, MCL1, MKI67 FFAR3 3767/4885KDM4E 961/4885HPGD 1117/4885

“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.