SCHEMBL18349784

SCHEMBL18349784

CCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.35
AKR1B1 P15121 1/20 0.34
PLA2G4B P0C869 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
TLR2 O60603 2/20 0.33

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
SCHEMBL10215089 0.86 LMNA (0.40) THRBFFAR3HDAC3HDAC1HDAC2
SCHEMBL17167185 0.85 FFAR3 (0.37) THRBFFAR3HDAC3HDAC1HDAC2
SCHEMBL19646442 0.82 THRB (0.41) THRBHDAC3HDAC1MEN1KMT2A
SCHEMBL25246092 0.81 THRB (0.49) THRBALDH1A1TSHR
SCHEMBL14343010 0.81 ALDH1A1 (0.42) THRBFFAR3HDAC3HDAC1HDAC2
SCHEMBL14963645 0.81 LMNA (0.46) THRBFFAR3HDAC3HDAC1HDAC2
SCHEMBL15703325 0.80 LMNA (0.35) THRBALDH1A1LMNAGPR84TSHR
SCHEMBL14343042 0.80 ALDH1A1 (0.38) THRBALDH1A1LMNAGPR84TSHR
SCHEMBL15137374 0.80 LMNA (0.35) THRBALDH1A1LMNAGPR84TSHR
SCHEMBL10212854 0.79 ALDH1A1 (0.46) THRBALDH1A1MEN1KMT2ALMNA

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
US-20210220339-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-07-22 US disclosed
US-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION BANK OF AMERICA, N.A. 2016-12-29 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 (2 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-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION IGF2R, IRS1, INSR THRB 848/4885FFAR3 1081/4885HDAC3 1435/4885
US-20210220339-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR THRB 3478/4885FFAR3 1642/4885HDAC3 591/4885

“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.