SCHEMBL1900195

SCHEMBL1900195

CC(O)CC(O)CCCC(O)CC(C)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.35
USP2 O75604 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.30
GPR84 Q9NQS5 4/20 0.30

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
SCHEMBL1683274 0.94 TSHR (0.33) TSHRTDP1ALDH1A1USP2CYP3A4
SCHEMBL14301167 0.94 USP2 (0.34) TSHRTDP1ALDH1A1USP2CYP3A4
SCHEMBL18685052 0.89 USP2 (0.33) TSHRTDP1ALDH1A1USP2CYP3A4
SCHEMBL15013678 0.89 THRB (0.43) TSHRTDP1ALDH1A1USP2CYP3A4
SCHEMBL15870392 0.87 THRB (0.42) TDP1ALDH1A1USP2CYP3A4MAPT
SCHEMBL16568192 0.87 THRB (0.42) TDP1USP2CYP3A4SMN1; SMN2
SCHEMBL2787443 0.87 TSHR (0.41) TSHRTDP1ALDH1A1MAPK1LMNA
SCHEMBL428260 0.86 GPR84 (0.40) TSHRALDH1A1MAPTGPR84
SCHEMBL15484241 0.86 TDP1 (0.38) TSHRTDP1ALDH1A1USP2CYP3A4
SCHEMBL17340654 0.85 TSHR (0.39) TSHRALDH1A1USP2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251289-A1 NEW COMPOUNDS FOR THE TREATMENT OF CANCER CSIR (ZA) 2011-10-13 US disclosed
EP-2321259-A2 NEW COMPOUNDS FOR THE TREATMENT OF CANCER CSIR (ZA) 2011-05-18 EP disclosed
WO-2009147632-A2 NEW COMPOUNDS FOR THE TREATMENT OF CANCER CSIR (ZA) 2009-12-10 WO 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-20110251289-A1 NEW COMPOUNDS FOR THE TREATMENT OF CANCER DUT, BAD, TYMS TSHR 2050/4885TDP1 965/4885ALDH1A1 484/4885

“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.