SCHEMBL8436767

SCHEMBL8436767

CCCCC(CC)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
ENPP2 Q13822 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
CACNA2D1 P54289 1/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 0.39

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
SCHEMBL11045235 0.94 TDP1 (0.42) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL27635962 0.93 HDAC8 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL20655979 0.93 HDAC8 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL30464709 0.93 HDAC8 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL11533028 0.93 HDAC8 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL29745004 0.93 HDAC8 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL25124425 0.89 ENPP2 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL6923800 0.89 CACNA2D1 (0.44) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL10889654 0.88 TDP1 (0.46) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1
SCHEMBL10633066 0.87 HDAC8 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTMAPK1

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
CN-114025847-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2022-02-08 CN disclosed
WO-2017197036-A1 SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
US-9340489-B2 Process for the preparation of deuterated compounds containing N-alkyl groups SANOFI (FR) 2016-05-17 US disclosed
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2014-03-20 US disclosed
US-5865857-A COLORFASTNESS; PHOTOSTABILITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0667887-B1 DYES ZENECA LTD (GB) 1998-09-23 EP disclosed
US-5660598-A PRODUCE LIGHTFAST BLUE TO GREEN SHADES ON SYNTHETIC TEXTILES ZENECA LIMITED (GB) 1997-08-26 US disclosed
EP-0667887-A1 DYES ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1994010248-A1 DYES ZENECA LIMITED (GB) 1994-05-11 WO disclosed
US-4468526-A Process for the preparation of thiuram disulfides AKZONA INCORPORATED (US) 1984-08-28 US 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-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS HDHD5, DRD4, DRD2 ALDH1A1 3944/4885SMN1; SMN2 3356/4885MEN1 1856/4885

“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.