SCHEMBL8933958

SCHEMBL8933958

CCCCOc1cc(Br)cc(OCCCC)c1OCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
THRA P10827 4/20 0.45
THRB P10828 4/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL30522290 0.92 THRA (0.47) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL21821361 0.92 THRA (0.47) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL195058 0.85 PTGS2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL15151735 0.81 MAPT (0.43) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL9786146 0.81 THRB (0.59) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL5254326 0.79 CYP1A2 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL5269345 0.79 PTGS2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL7295793 0.79 LTA4H (0.46) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL7295790 0.79 ALDH1A1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL13062423 0.78 CCNB2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1POLB

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-8188144-B2 In vitro preservation of living animal cells and compounds suitable for use in the preservation of living animal cells ANTOXIS LIMITED (GB) 2012-05-29 US disclosed
US-20100267132-A1 IN VITRO PRESERVATION OF LIVING ANIMAL CELLS AND COMPOUNDS SUITABLE FOR USE IN THE PRESERVATION OF LIVING ANIMAL CELLS ANTOXIS LIMITED (GB) 2010-10-21 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-20100267132-A1 IN VITRO PRESERVATION OF LIVING ANIMAL CELLS AND COMPOUNDS SUITABLE FOR USE IN THE PRESERVATION OF LIVING ANIMAL CELLS PIGS, AQP1, F12 SMN1; SMN2 719/4885MEN1 731/4885KMT2A 3131/4885

“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.