SCHEMBL2230476

SCHEMBL2230476

COC1N(c2c(C)cc(C)cc2C)C(c2ccccc2)C(c2ccccc2)N1c1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
MAOB P27338 3/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAOA P21397 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12691903 0.83 MAOB (0.33) MAOB
SCHEMBL10029425 0.81 ATM (0.34) ELANEMAOBNPSR1ALDH1A1CYP1A2
SCHEMBL12691975 0.76 MAOB (0.31) MAOBALDH1A1CYP1A2CYP2A6SLC6A2
SCHEMBL15255363 0.76 ATM (0.35) ELANEMAOBMAPTNPSR1ALDH1A1
SCHEMBL2233294 0.75 KDM4E (0.30) ALDH1A1
SCHEMBL21142321 0.73 DPP4 (0.31)
SCHEMBL10035307 0.71 SLC6A2 (0.36) MAOBMAPTNPSR1ALDH1A1CYP1A2
SCHEMBL14578492 0.71 SLC6A2 (0.36) MAOBMAPTNPSR1ALDH1A1CYP1A2
SCHEMBL18643566 0.71 SLC6A2 (0.36) MAOBMAPTNPSR1ALDH1A1CYP1A2
SCHEMBL19367692 0.71 CYP1A2 (0.33) MAOBNPSR1ALDH1A1CYP1A2CYP2A6

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 ELANE 4812/4885MAOB 1036/4885MAPT 3174/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT ELANE 1407/4885MAOB 67/4885MAPT 3552/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 ELANE 1094/4885MAOB 101/4885MAPT 4015/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C ELANE 2625/4885MAOB 291/4885MAPT 4621/4885

“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.