SCHEMBL19990163

SCHEMBL19990163

COC(=O)CC(C)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCB1 P08183 1/20 0.44
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
FOLH1 Q04609 1/20 0.42
CTSB P07858 2/20 0.42
MAOB P27338 1/20 0.42
MMP1 P03956 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL19990164 1.00 HTT (0.46) HTTSMN1; SMN2ABCB1NPC1KDM4E
SCHEMBL18112961 0.86 HTT (0.46) HTTSMN1; SMN2ALDH1A1FOLH1CTSB
SCHEMBL9518843 0.85 NPC1 (0.49) HTTSMN1; SMN2ABCB1NPC1KDM4E
SCHEMBL9518846 0.85 NPC1 (0.49) HTTSMN1; SMN2ABCB1NPC1KDM4E
SCHEMBL20233630 0.85 KMT2A (0.47) HTTABCB1NPC1KDM4EALDH1A1
SCHEMBL27368881 0.84 HTT (0.43) HTTSMN1; SMN2NPC1ALDH1A1MMP3
SCHEMBL13041144 0.82 NPC1 (0.52) HTTSMN1; SMN2ABCB1NPC1KDM4E
SCHEMBL29829387 0.82 HDAC3 (0.55) HTTSMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL30805752 0.82 HDAC3 (0.55) HTTSMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL4206102 0.81 TSHR (0.53) HTTSMN1; SMN2NPC1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635961-B Indole analogs as 5-oxo-ETE receptor antagonists and methods of use thereof 皇家学习促进学会/麦吉尔大学 2021-07-20 CN disclosed
EP-3277665-B1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2020-03-04 EP disclosed
US-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-29 US disclosed
CN-107635961-A Indoles analog and its application method as 5 oxo ETE receptor antagonists 皇家学习促进学会/麦吉尔大学 2018-01-26 CN 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-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF HTR5A, EDNRA, HTR3E HTT 2270/4885SMN1; SMN2 4553/4885ABCB1 2093/4885

“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.