SCHEMBL16639668

SCHEMBL16639668

COCCOCOCc1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.37
CYP19A1 P11511 4/20 0.37
APP P05067 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
GFER P55789 1/20 0.37
TSHR P16473 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33

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
SCHEMBL12477381 0.90 TDP1 (0.41) MAOBCYP19A1APPTDP1ALDH1A1
SCHEMBL4302217 0.84 TSHR (0.50) MAOBAPPTDP1ALDH1A1CYP3A4
SCHEMBL9342607 0.83 IDO1 (0.45) MAOBAPPTDP1ALDH1A1GAA
SCHEMBL10618295 0.82 IDO1 (0.50) ALDH1A1RAB9ASMN1; SMN2L3MBTL1IDO1
SCHEMBL8337265 0.81 PTPN2 (0.33) APPTDP1TSHRL3MBTL1ICAM1
Hydrogen Peroxide SCHEMBL9342834 0.80 IDO1 (0.47) ALDH1A1RAB9ASMN1; SMN2L3MBTL1IDO1
SCHEMBL4301097 0.80 TSHR (0.50) MAOBAPPTDP1ALDH1A1CYP3A4
SCHEMBL16125550 0.79 TSHR (0.34) APPTDP1TSHRMAOAL3MBTL1
SCHEMBL9875918 0.78 IDO1 (0.44) MAOBAPPTDP1ALDH1A1GAA
SCHEMBL15814832 0.78 APP (0.50) APPTDP1ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 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-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 MAOB 272/4885CYP19A1 182/4885APP 2150/4885

“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.