SCHEMBL4889614

SCHEMBL4889614

CCCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCCCC)cc3)OC(=O)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.56
GOPC Q9HD26 1/20 0.56
TDP1 Q9NUW8 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 3/20 0.55
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ESR1 P03372 1/20 0.55
TP53 P04637 1/20 0.55
TYMS P04818 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ESR2 Q92731 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
GAA P10253 1/20 0.51

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
SCHEMBL1026846 0.82 NPSR1 (0.57) CFTRGOPCTDP1MEN1KMT2A
SCHEMBL1025601 0.81 CFTR (0.52) CFTRGOPCTDP1MEN1KMT2A
SCHEMBL4020684 0.81 POLB (0.50) TDP1MEN1KMT2APOLBNPSR1
SCHEMBL18161910 0.78 CFTR (0.59) CFTRGOPCTDP1MEN1KMT2A
SCHEMBL220741 0.77 CFTR (0.55) CFTRGOPCTDP1MEN1KMT2A
SCHEMBL5146765 0.77 KDM4E (0.47) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL5146662 0.77 KDM4E (0.47) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL5148245 0.77 KDM4E (0.47) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL1882657 0.77 KMT2A (0.42) TDP1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL25005560 0.76 CFTR (0.54) CFTRGOPCTDP1MEN1KMT2A

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-20080241943-A1 Subnanomolar Precipitator of Thiophilic Metals THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-02 US disclosed
WO-2006055883-A2 SUBNANOMOLAR PRECIPITATOR OF THIOPHILIC METALS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-05-26 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-20080241943-A1 Subnanomolar Precipitator of Thiophilic Metals LGALS2, LGALS4, CA2 CFTR 4729/4885GOPC 468/4885TDP1 2850/4885

“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.