SCHEMBL10345229

SCHEMBL10345229

CCCC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.62
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 3/20 0.50
HDAC1 Q13547 2/20 0.50
NPC1 O15118 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
STS P08842 1/20 0.49
HDAC11 Q96DB2 1/20 0.47
HTR7 P34969 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6514676 0.89 HSD17B3 (0.65) HSD17B3HPGDALDH1A1MAPTL3MBTL1
SCHEMBL19975792 0.87 HSD17B3 (0.66) HSD17B3HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10883603 0.85 HSD17B3 (0.67) HSD17B3HDAC1HDAC3HDAC2HDAC8
SCHEMBL10999955 0.85 HSD17B3 (0.67) HSD17B3HDAC1HDAC3HDAC2HDAC8
SCHEMBL8139107 0.85 HSD17B3 (0.67) HSD17B3HDAC1HDAC3HDAC2HDAC8
SCHEMBL26254861 0.85 HSD17B3 (0.82) HSD17B3HPGDALDH1A1SMN1; SMN2L3MBTL1
Butane SCHEMBL11690769 0.84 MAPT (0.57) HPGDALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL303244 0.83 ALDH1A1 (0.61) HPGDALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL11321458 0.82 HSD17B3 (0.60) HSD17B3HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL25424836 0.81 ALDH1A1 (0.64) HPGDALDH1A1MAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4552830-A UNSATURATED COMPOUND, FREE RADICAL-PRODUCING PHOTOINITIATOR FLUORA COLOR FORMER, PROTON DONOR DYNACHEM CORPORATION (US) 1985-11-12 US claimed
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 US claimed
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
EP-0225778-B1 IMPROVED SYNTHESIS AND PURIFICATION OF ALPHA-D-PROPOXYPHENE HYDROCHLORIDE Mallinckrodt, Inc. (a Delaware corporation) (US) 1990-05-23 EP disclosed
EP-0005379-B2 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1986-06-04 EP disclosed
US-4552830-A UNSATURATED COMPOUND, FREE RADICAL-PRODUCING PHOTOINITIATOR FLUORA COLOR FORMER, PROTON DONOR DYNACHEM CORPORATION (US) 1985-11-12 US disclosed
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 US disclosed
EP-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 EP disclosed
EP-0005379-B1 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1981-12-23 EP disclosed
EP-0005379-A2 Photosensitive compositions containing carbonylic halides as activators Dynachem Corporation (US) 1979-11-14 EP disclosed
EP-0005380-A2 Phototropic photosensitive compositions containing a fluoran colorformer Dynachem Corporation (US) 1979-11-14 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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP HSD17B3 3833/4885HPGD 1279/4885ALDH1A1 3792/4885

“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.