SCHEMBL4817280

SCHEMBL4817280

CC(CCOCc1ccccc1)=NO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.43
NAAA Q02083 1/20 0.42
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 3/20 0.39
POLB P06746 2/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FOLH1 Q04609 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6211257 1.00 TSHR (0.48) TSHRALDH1A1NAAAHTTSMN1; SMN2
SCHEMBL6210209 1.00 TSHR (0.48) TSHRALDH1A1NAAAHTTSMN1; SMN2
SCHEMBL28759574 0.80 TSHR (0.56) TSHRALDH1A1NAAASMN1; SMN2NPC1
SCHEMBL28106389 0.79 TSHR (0.65) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8178555 0.79 TSHR (0.48) TSHRNAAAHTTSMN1; SMN2CA1
SCHEMBL19600798 0.79 TSHR (0.48) TSHRALDH1A1NAAAHTTSMN1; SMN2
SCHEMBL24488934 0.78 TSHR (0.52) TSHRALDH1A1NAAAHTTSMN1; SMN2
SCHEMBL711863 0.78 ALDH1A1 (0.57) TSHRALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL1109806 0.78 TSHR (0.52) TSHRALDH1A1NAAAHTTSMN1; SMN2
SCHEMBL14253597 0.76 TSHR (0.50) TSHRALDH1A1NAAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358396-B2 Preparation of optically active amines BASF AKTIENGESELLSCHAFT (DE) 2008-04-15 US disclosed
US-7078226-B1 Method for producing optically active amines BASF AKTIENGESELLSCHAFT (DE) 2006-07-18 US disclosed
US-20060122429-A1 Preparation of optically active amines DITRICH KLAUS 2006-06-08 US disclosed
EP-0194554-B1 PROCESS FOR PRODUCTION OF OXIME DERIVATIVES NIPPON ZEON CO., LTD. (JP) 1993-09-01 EP disclosed
US-4906768-A Process for production of oxime derivatives NIPPON ZEON CO., LTD. (JP) 1990-03-06 US disclosed
EP-0194554-A2 Process for production of oxime derivatives NIPPON ZEON CO., LTD. (JP) 1986-09-17 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-20060122429-A1 Preparation of optically active amines MAOA, MAOB, NAAA TSHR 2708/4885ALDH1A1 283/4885NAAA 3/4885

“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.