SCHEMBL4281283

SCHEMBL4281283

CC(C)COC(=O)c1cc(OCC(C)C)cc(OCC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
GPR35 Q9HC97 1/20 0.46
JMJD6 Q6NYC1 1/20 0.45
KMT2A Q03164 2/20 0.44
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
GCK P35557 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
NR1H4 Q96RI1 3/20 0.42
SERPINE1 P05121 1/20 0.41
XDH P47989 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2175931 0.89 GPR35 (0.44) ALDH1A1TSHRGPR35JMJD6KMT2A
SCHEMBL2179194 0.89 GPR35 (0.44) ALDH1A1TSHRGPR35JMJD6KMT2A
SCHEMBL6580266 0.85 ALDH1A1 (0.59) ALDH1A1TSHRGPR35JMJD6KMT2A
SCHEMBL2175919 0.82 XDH (0.50) ALDH1A1TSHRRARARARBRARG
SCHEMBL27929357 0.82 KMT2A (0.60) ALDH1A1TSHRKMT2APLA2G1BATG4B
SCHEMBL4276418 0.81 PLA2G2A (0.54) KMT2ARARARARBRARGGCK
SCHEMBL2666394 0.81 MAPT (0.49) ALDH1A1TSHRKMT2ARARARARB
SCHEMBL2175928 0.81 CYP2C9 (0.51) GPR35RARARARBRARGGCK
SCHEMBL20644671 0.80 CA12 (0.41) ALDH1A1TSHRGPR35JMJD6KMT2A
SCHEMBL2176588 0.79 SERPINE1 (0.43) ALDH1A1TSHRGPR35JMJD6RARA

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 4233/4885GPR35 1669/4885

“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.