SCHEMBL2231802

SCHEMBL2231802

COC1N(c2ccccc2)CCN1c1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.37
HSD11B1 P28845 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
DPP4 P27487 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL1012697 0.87 ALDH1A1 (0.34) MAPTALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL1010855 0.83 MAPT (0.49) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL1011972 0.75 TACR1 (0.43)
SCHEMBL2233304 0.70 MAPT (0.41) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL2233257 0.69 ALDH1A1 (0.32) MAPTALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL1010853 0.69 ALDH1A1 (0.32) MAPTALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL1012642 0.69 MEN1 (0.34) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL2230476 0.69 ELANE (0.35) MAPTALDH1A1NPSR1
SCHEMBL15069120 0.68 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL27913524 0.67 MAPT (0.47) MAPTTSHRALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-20 US disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
US-8350051-B2 Process for producing alpha-hydroxyketone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
US-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 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 (4 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-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND BCKDK, PDK4, HK1 MAPT 3174/4885TSHR 3516/4885ALDH1A1 37/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT MAPT 3552/4885TSHR 2468/4885ALDH1A1 113/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 MAPT 4015/4885TSHR 2048/4885ALDH1A1 182/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C MAPT 4621/4885TSHR 975/4885ALDH1A1 33/4885

“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.