SCHEMBL3864948

SCHEMBL3864948

CC1C=C(OCc2ccccc2)CCCCCCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
HTR2C P28335 4/20 0.41
SLC6A4 P31645 4/20 0.41
HTR2A P28223 3/20 0.41
SGMS2 Q8NHU3 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FOXM1 Q08050 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 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
SCHEMBL3864942 1.00 HRH3 (0.41) HRH3HTR2CSLC6A4HTR2ASGMS2
SCHEMBL3864944 1.00 HRH3 (0.41) HRH3HTR2CSLC6A4HTR2ASGMS2
SCHEMBL14041038 0.94 PSEN1 (0.40) HRH3HTR2CSLC6A4HTR2ACYP2D6
SCHEMBL14381950 0.94 PSEN1 (0.40) HRH3HTR2CSLC6A4HTR2ACYP2D6
SCHEMBL3867118 0.80 EPHX1 (0.43) HTR2CHTTMEN1ALDH1A1KMT2A
SCHEMBL3867116 0.80 EPHX1 (0.43) HTR2CHTTMEN1ALDH1A1KMT2A
SCHEMBL3867120 0.80 EPHX1 (0.43) HTR2CHTTMEN1ALDH1A1KMT2A
SCHEMBL3873505 0.77 ALDH1A1 (0.33) HTTMEN1ALDH1A1KMT2AMAPT
SCHEMBL3873509 0.77 ALDH1A1 (0.33) HTTMEN1ALDH1A1KMT2AMAPT
SCHEMBL3873512 0.77 ALDH1A1 (0.33) HTTMEN1ALDH1A1KMT2AMAPT

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 HRH3 2960/4885HTR2C 1999/4885SLC6A4 2170/4885

“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.