SCHEMBL3862341

SCHEMBL3862341

CC1C=C(OC(=O)c2ccccc2)CCCCCCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
CYP1A2 P05177 2/20 0.47
STAT3 P40763 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MCL1 Q07820 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 2/20 0.42
ATM Q13315 1/20 0.42
GRM5 P41594 1/20 0.40
SLC6A3 Q01959 1/20 0.40
POLB P06746 1/20 0.40
ELANE P08246 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
SCHEMBL3862335 1.00 KMT2A (0.47) KMT2ACYP1A2STAT3ALDH1A1CYP2C9
SCHEMBL3862337 1.00 KMT2A (0.47) KMT2ACYP1A2STAT3ALDH1A1CYP2C9
SCHEMBL3758707 0.79 ESR1 (0.39) KMT2ASLC6A3KDM4E
SCHEMBL3758717 0.79 ESR1 (0.39) KMT2ASLC6A3KDM4E
SCHEMBL3758701 0.79 ESR1 (0.39) KMT2ASLC6A3KDM4E
SCHEMBL3758711 0.79 ESR1 (0.39) KMT2ASLC6A3KDM4E
SCHEMBL3758715 0.79 ESR1 (0.39) KMT2ASLC6A3KDM4E
SCHEMBL3770909 0.79 ESR1 (0.39) KMT2ASLC6A3KDM4E
SCHEMBL3863479 0.78 ALDH1A1 (0.43) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3867120 0.78 EPHX1 (0.43) KMT2AALDH1A1CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845078-B1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2017-06-07 EP disclosed
US-7479574-B2 Method of producing macrocyclic ketone, and intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-20 US disclosed
US-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-13 US disclosed
EP-1845078-A1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR Takasago International Corporation (JP) 2007-10-17 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-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof MSMO1, CYP17A1, DNMT1 KMT2A 553/4885CYP1A2 33/4885STAT3 4047/4885

“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.