SCHEMBL23719251

SCHEMBL23719251

CCC1(Cc2ccc(C(C)C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
PYCR1 P32322 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
FKBP1A P62942 1/20 0.33
TYR P14679 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL30279705 0.80 CYP3A4 (0.41) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8362824 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EGAAALOX15OPRM1
SCHEMBL11466078 0.70 OPRL1 (0.41) IDO1OPRM1OPRL1
SCHEMBL139408 0.69 L3MBTL1 (0.56) IDO1HTR1DHTR1BPYCR1L3MBTL1
SCHEMBL18015815 0.69 KMT2A (0.44) IDO1L3MBTL1KMT2APOLB
SCHEMBL31589139 0.69 TSHR (0.34) MEN1KMT2AESR1ESR2POLB
SCHEMBL16029497 0.68 MAOA (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL7287730 0.68 HTR1D (0.40) IDO1HTR1DHTR1BHTTFKBP1A
SCHEMBL23340471 0.68 MCOLN3 (0.39) IDO1HTR1DHTR1BL3MBTL1MEN1
SCHEMBL22388405 0.67 IDO1 (0.44) IDO1L3MBTL1SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 IDO1 1263/4885HTR1D 3331/4885HTR1B 2912/4885

“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.