SCHEMBL21977264

SCHEMBL21977264

CCC(CCC(=O)O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
GGPS1 O95749 1/20 0.42
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
FDPS P14324 2/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.35
AKR1B1 P15121 1/20 0.34
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
GPR84 Q9NQS5 5/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 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
SCHEMBL2717818 0.86 GGPS1 (0.43) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL13301257 0.85 GGPS1 (0.50) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL11219824 0.80 LMNA (0.35) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL28765096 0.78 FOLH1 (0.38) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL27745358 0.78 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP1A2THRB
Phosphonic Acid SCHEMBL7711633 0.78 GGPS1 (0.42) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL11339782 0.77 FOLH1 (0.41) MEN1KMT2AGGPS1NAALAD2TSHR
SCHEMBL10360935 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL15438060 0.77 FDPS (0.54) GGPS1FDPS
SCHEMBL12570895 0.76 GGH (0.40) CYP1A2GGPS1NAALAD2

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-11400160-B2 Multifunctional conjugates E.P.O.S IASIS RESEARCH AND DEVELOPMENT LIMITED (CY) 2022-08-02 US disclosed
US-20200164076-A1 MULTIFUNCTIONAL CONJUGATES E.P.O.S IASIS RESEARCH AND DEVELOPMENT LIMITED (CY) 2020-05-28 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-20200164076-A1 MULTIFUNCTIONAL CONJUGATES MKI67, ACP3, CD44 ALDH1A1 1688/4885MEN1 226/4885KMT2A 2450/4885
US-11400160-B2 Multifunctional conjugates MKI67, ACP3, CD44 ALDH1A1 1688/4885MEN1 226/4885KMT2A 2450/4885

“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.