SCHEMBL5080663

SCHEMBL5080663

CCOc1ccccc1OCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 6/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR2C P28335 1/20 0.45
TLR8 Q9NR97 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
IGF1R P08069 1/20 0.43
AGTR1 P30556 1/20 0.43

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
Ethylene SCHEMBL27839741 0.96 ALOX15 (0.53) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL4334443 0.91 ALDH1A1 (0.55) ALOX15ALDH1A1MAPTGAACYP1A2
SCHEMBL27251161 0.83 ALOX15 (0.62) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
1,2-Diethoxybenzene SCHEMBL578986 0.83 ALDH1A1 (0.68) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
1,2-Diethoxybenzene SCHEMBL29428929 0.83 ALDH1A1 (0.68) ALOX15ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL1446334 0.83 LMNA (0.61) ALDH1A1L3MBTL1GAACYP1A2TDP1
SCHEMBL7931093 0.82 CYP1A2 (0.56) ALDH1A1L3MBTL1MAPTNPSR1GAA
SCHEMBL10203031 0.81 ALOX15 (0.64) ALOX15L3MBTL1GLAGAACYP1A2
SCHEMBL842535 0.81 HTR2C (0.44) ALOX15ALDH1A1MAPTGAACYP1A2
SCHEMBL28648942 0.81 GAA (0.47) ALOX15ALDH1A1MAPTGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358030-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2008-04-15 US disclosed
US-20060074262-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-04-06 US disclosed
US-7015363-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-03-21 US disclosed
US-20040181097-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2004-09-16 US disclosed
EP-1415968-A1 PROCESS FOR PRODUCING ETHER COMPOUND Kyowa Yuka Co., Ltd. (JP) 2004-05-06 EP 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-20060074262-A1 Process for producing ether compound AGL, ARL1, CYP2C8 ALOX15 1463/4885ALDH1A1 1191/4885L3MBTL1 2043/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 ALOX15 1791/4885ALDH1A1 902/4885L3MBTL1 2145/4885

“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.