SCHEMBL9921287

SCHEMBL9921287

CCC(C)OCCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA7 P36544 1/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC22A1 O15245 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL9921294 0.98 ALDH1A1 (0.45) ALDH1A1PSMB1PSMB5HTTSMN1; SMN2
SCHEMBL20333196 0.89 HTT (0.49) ALDH1A1PSMB1PSMB5HTTSMN1; SMN2
SCHEMBL13543410 0.88 MEN1 (0.46) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL20333241 0.87 HTT (0.48) ALDH1A1PSMB1PSMB5HTTSMN1; SMN2
SCHEMBL13543156 0.86 MEN1 (0.45) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL22446626 0.86 ALDH1A1 (0.35) ALDH1A1KDM4ELTA4HMEN1KMT2A
SCHEMBL20333659 0.86 HTT (0.44) ALDH1A1HTTKDM4EL3MBTL1LTA4H
SCHEMBL22890918 0.82 DAO (0.36) ALDH1A1SIGMAR1
SCHEMBL19928688 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL20326058 0.82 PSMB1 (0.41) ALDH1A1PSMB1PSMB5CHRNA7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019165192-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-08-29 WO disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885PSMB1 3165/4885PSMB5 3280/4885

“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.