SCHEMBL454314

SCHEMBL454314

COc1cc(CC(C)C)ccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
LDHA P00338 1/20 0.45
ALOX15 P16050 4/20 0.43
ALOX12 P18054 3/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
TUBB1 Q9H4B7 1/20 0.41
ERN1 O75460 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL11158523 0.87 TUBB1 (0.48) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL9714792 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL28783867 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL14327024 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL14447279 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL17748553 0.79 KDM4E (0.50) ALDH1A1KDM4ETDP1LDHAALOX15
SCHEMBL17748552 0.79 KDM4E (0.50) ALDH1A1KDM4ETDP1LDHAALOX15
SCHEMBL28215870 0.79 ALOX15 (0.45) ALDH1A1KDM4EALOX15
SCHEMBL806723 0.78 CA2 (0.63) ALDH1A1KDM4EFOSTTRJUN
SCHEMBL465084 0.78 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4ETSHRTDP1

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-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA ALDH1A1 2245/4885L3MBTL1 1953/4885KDM4E 1662/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 ALDH1A1 2082/4885L3MBTL1 2190/4885KDM4E 1605/4885

“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.