SCHEMBL87209

SCHEMBL87209

CCCOc1ccc(C)c2c1SCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
TSHR P16473 3/20 0.36
POLB P06746 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PLA2G1B P04054 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL90879 0.85 PDE7A (0.39) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL7840446 0.77 BRD4 (0.34) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL25783984 0.74 VHL (0.37) ALDH1A1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL18434595 0.73 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL10079888 0.72 LMNA (0.51) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL83211 0.70 PDE7A (0.40) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL10050656 0.69 KDM4E (0.53) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL23861120 0.69 PDE5A (0.42) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9404777 0.68 LMNA (0.36) KDM4EHTTLMNAMAPT
SCHEMBL23861133 0.65 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4ETSHR

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-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 MEN1 4036/4885KMT2A 90/4885ALDH1A1 440/4885

“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.