SCHEMBL4281903

SCHEMBL4281903

CC(C)COC(=O)c1cc(OCC(C)C)ccc1OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 1/20 0.54
FOS P01100 2/20 0.45
JUN P05412 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
XDH P47989 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ABL1 P00519 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HIF1A Q16665 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL4276431 0.87 FOS (0.49) ALDH1A1TSHRFOSJUNSIRT2
SCHEMBL4856552 0.85 ALDH1A1 (0.54) ALDH1A1TSHRXDHKDM4EGAA
SCHEMBL4282168 0.84 FOS (0.50) ALDH1A1FOSJUNSIRT2XDH
SCHEMBL4284947 0.82 ALDH1A1 (0.51) ALDH1A1TSHRFOSJUNXDH
SCHEMBL4277702 0.81 ALDH1A1 (0.53) ALDH1A1TSHRXDHLMNAKDM4E
SCHEMBL28020498 0.80 ALDH1A1 (0.74) ALDH1A1TSHRKDM4ESMN1; SMN2MAPT
SCHEMBL28820189 0.78 ABCB1 (0.49) ALDH1A1TSHRLMNAKDM4EGAA
SCHEMBL10640299 0.76 KDM4E (0.47) ALDH1A1FOSJUNXDHLMNA
SCHEMBL2907638 0.76 ABCB1 (0.51) ALDH1A1MAPTHIF1AHTTKMT2A
SCHEMBL27929357 0.76 KMT2A (0.60) ALDH1A1TSHRLMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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 (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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 ALDH1A1 2031/4885TSHR 4233/4885FOS 63/4885

“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.