SCHEMBL3867116

SCHEMBL3867116

CC1/C=C(/OC(=O)OCc2ccccc2)CCCCCCCCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ENPP2 Q13822 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR2C P28335 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
FKBP1A P62942 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3867120 1.00 EPHX1 (0.43) EPHX1TSHRALDH1A1MEN1KMT2A
SCHEMBL3867118 1.00 EPHX1 (0.43) EPHX1TSHRALDH1A1MEN1KMT2A
SCHEMBL3966044 0.81 ALDH1A1 (0.36) TSHRALDH1A1KMT2AHSD17B10
SCHEMBL3966042 0.81 ALDH1A1 (0.36) TSHRALDH1A1KMT2AHSD17B10
SCHEMBL3966038 0.81 ALDH1A1 (0.36) TSHRALDH1A1KMT2AHSD17B10
SCHEMBL3864948 0.80 HRH3 (0.41) ALDH1A1MEN1KMT2AHTR2CHTT
SCHEMBL3864942 0.80 HRH3 (0.41) ALDH1A1MEN1KMT2AHTR2CHTT
SCHEMBL3864944 0.80 HRH3 (0.41) ALDH1A1MEN1KMT2AHTR2CHTT
SCHEMBL3862335 0.78 KMT2A (0.47) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL3862337 0.78 KMT2A (0.47) TSHRALDH1A1MEN1KMT2ACYP2C9

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 EPHX1 2448/4885TSHR 3505/4885ALDH1A1 171/4885

“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.