SCHEMBL3358100

SCHEMBL3358100

CC(C)=CCCOCCC=C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALOX15 P16050 6/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
UGT1A1 P22309 1/20 0.39
SQLE Q14534 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
GBA1 P04062 1/20 0.36
GBA2 Q9HCG7 1/20 0.36

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
SCHEMBL1017016 0.87 TSHR (0.37) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL28342394 0.85 KMT2A (0.70) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL27437786 0.85 KMT2A (0.70) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL22223989 0.84
SCHEMBL1013293 0.84
SCHEMBL11708648 0.80 KDM4E (0.42) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL14166465 0.77 ALOX15 (0.35) ALOX15ALDH1A1TSHRGBA1GBA2
SCHEMBL59251 0.77
SCHEMBL1014132 0.77
SCHEMBL25973601 0.77

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
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
US-7705165-B2 Method for producing optically active cyclopropanecarboxylate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-27 US disclosed
US-7671210-B2 Process for production of optically active cyclopropanecarboxylate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20090048450-A1 Process for production of optically active cyclopropanecarboxylate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-19 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-20090048450-A1 Process for production of optically active cyclopropanecarboxylate compound CBR3, C9, CBR1 KMT2A 4416/4885ALOX15 1218/4885MEN1 1576/4885

“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.