SCHEMBL3863855

SCHEMBL3863855

CCCCO/C1=C/C(C)CCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
CRBN Q96SW2 1/20 0.33
CNR2 P34972 1/20 0.32
HPGD P15428 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL3863858 1.00 TSHR (0.36) TSHRKMT2APOLBCYP1A2CYP2D6
SCHEMBL3863861 1.00 TSHR (0.36) TSHRKMT2APOLBCYP1A2CYP2D6
SCHEMBL3871044 0.92 CYP1A2 (0.37) KMT2ACYP1A2CYP2D6MEN1CYP2C19
SCHEMBL3871042 0.92 CYP1A2 (0.37) KMT2ACYP1A2CYP2D6MEN1CYP2C19
SCHEMBL3871047 0.92 CYP1A2 (0.37) KMT2ACYP1A2CYP2D6MEN1CYP2C19
SCHEMBL3873512 0.84 ALDH1A1 (0.33) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL11237471 0.84 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL3873509 0.84 ALDH1A1 (0.33) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3873505 0.84 ALDH1A1 (0.33) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL10454264 0.77 KMT2A (0.30) KMT2A

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 TSHR 3505/4885KMT2A 553/4885POLB 2839/4885

“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.