SCHEMBL18287352

SCHEMBL18287352

CC(C)c1ccc(N(c2ccccc2)c2ccc(C(C)C)cc2P(C(C)C)C(C)C)c(P(C(C)C)C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.35
ALDH1A1 P00352 2/20 0.33
MIF P14174 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 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
SCHEMBL18287349 0.83 POLB (0.33) CYP2C19SIGMAR1
SCHEMBL18287359 0.81 SIGMAR1 (0.34) MAPTL3MBTL1SIGMAR1
SCHEMBL2851944 0.80 TSHR (0.37) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL18287357 0.79 CYP2D6 (0.38) ALDH1A1KIF11CYP2D6L3MBTL1
SCHEMBL18287351 0.78 LMNA (0.34) CRHR1ALDH1A1GAAALOX12
SCHEMBL18287356 0.74 CYP2C19 (0.36) ALDH1A1CYP2C19TDP1
SCHEMBL12774310 0.73 ALDH1A1 (0.33) CRHR1ALDH1A1MIFGAAHPGD
SCHEMBL18287339 0.71 CYP3A4 (0.35) ALDH1A1MIFGAAALOX12KIF11
SCHEMBL18287314 0.71 CRHR1 (0.34) CRHR1ALDH1A1GAAHPGDALOX12
SCHEMBL28251398 0.70 ALDH1A1 (0.36) CRHR1ALDH1A1GAAHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-08 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-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OXA1L, MAL2, L1CAM CRHR1 4231/4885ALDH1A1 680/4885MIF 1619/4885

“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.