SCHEMBL5654036

SCHEMBL5654036

CCOC(=O)c1ccc(-c2ccccc2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAOA P21397 1/20 0.60
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 1/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ESR1 P03372 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
ESR2 Q92731 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL2008250 0.84 CA12 (0.56) CYP1A2LMNACYP3A4MAOAALDH1A1
SCHEMBL5651802 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL5206118 0.83 SMN1; SMN2 (0.61) CYP1A2LMNACYP3A4MAOAALDH1A1
SCHEMBL8699645 0.83 CA12 (0.59) CYP1A2LMNACYP3A4MAOAALDH1A1
SCHEMBL31497795 0.82 EGFR (0.56) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL254849 0.82 EGFR (0.56) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL28344398 0.82 RAB9A (0.53) CYP1A2LMNACYP3A4MAOAALDH1A1
SCHEMBL282384 0.81 CA12 (0.53) CYP1A2LMNACYP3A4MAOAALDH1A1
SCHEMBL11101131 0.81 MAPT (0.56) CYP1A2LMNACYP3A4MAOAALDH1A1
SCHEMBL5924878 0.81 F2RL3 (0.53) CYP1A2LMNACYP3A4MAOAALDH1A1

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
CN-115785131-B Method for synthesizing high-efficiency luminescent complex material with tunable luminescent wavelength 五邑大学 2024-05-17 CN claimed
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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 (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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 CYP1A2 409/4885LMNA 4564/4885CYP3A4 203/4885

“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.