SCHEMBL6460903

SCHEMBL6460903

CC(C)CCCCCCCC(N)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
KDM4C Q9H3R0 2/20 0.43
KDM4A O75164 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
GPR84 Q9NQS5 4/20 0.42
ENPEP Q07075 3/20 0.42
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40

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
SCHEMBL6462216 1.00 ALDH1A1 (0.48) ALDH1A1S1PR2S1PR1KDM4CKDM4A
SCHEMBL6462800 1.00 ALDH1A1 (0.48) ALDH1A1S1PR2S1PR1KDM4CKDM4A
SCHEMBL6460793 1.00 ALDH1A1 (0.48) ALDH1A1S1PR2S1PR1KDM4CKDM4A
SCHEMBL6407968 0.98 ALDH1A1 (0.46) ALDH1A1S1PR2S1PR1KDM4CKDM4A
SCHEMBL6461114 0.94 BLM (0.45) ALDH1A1S1PR2S1PR1KDM4CKDM4A
SCHEMBL4411760 0.85 SLC1A3 (0.45) S1PR2S1PR1ENPEPGABRPGABRD
SCHEMBL288992 0.85 SLC1A3 (0.45) S1PR2S1PR1ENPEPGABRPGABRD
SCHEMBL11437074 0.83 S1PR2 (0.63) ALDH1A1S1PR2S1PR1GPR84
SCHEMBL22660994 0.83 S1PR2 (0.63) ALDH1A1S1PR2S1PR1GPR84
SCHEMBL5419098 0.83 S1PR2 (0.63) ALDH1A1S1PR2S1PR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 ALDH1A1 374/4885S1PR2 4547/4885S1PR1 4528/4885

“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.