SCHEMBL15782800

SCHEMBL15782800

CCc1cc[nH]c1C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA12 O43570 1/20 0.33
PRKCI P41743 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
HTR1A P08908 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
DAO P14920 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
SCHEMBL21569583 0.83 GPR84 (0.38) GABRA1GABRB2PRKCIALDH1A1HSD17B10
SCHEMBL519233 0.83 ALDH1A1 (0.39) GABRA1GABRB2KMT2AALDH1A1LMNA
SCHEMBL24183230 0.81 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL8182312 0.81 CCNC (0.41) GABRA1GABRB2
SCHEMBL31330091 0.78 CNR2 (0.42) CA12L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL15090763 0.76 KDM4E (0.46) CA12KMT2AALDH1A1LMNAHTT
SCHEMBL20674242 0.76 CDK8 (0.39) CA12L3MBTL1KMT2ALMNAGAA
SCHEMBL4676687 0.75 KMT2A (0.39) KMT2AALDH1A1LMNA
SCHEMBL15782805 0.74 CA12 (0.44) HSD17B1CA12PRKCIL3MBTL1KMT2A
SCHEMBL27814142 0.74 HSP90AB1 (0.39) L3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107556255-A A kind of organic amine modified melamine polyphosphate and preparation method thereof 东华大学 2018-01-09 CN claimed
CN-107459492-A A kind of organically-modified melamine polyphosphate and preparation method thereof 东华大学 2017-12-12 CN claimed
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
CN-107892665-A A kind of preparation method of N-ethyl-2-acetyl pyrrole 山东吉田香料股份有限公司 2018-04-10 CN disclosed
CN-107556255-A A kind of organic amine modified melamine polyphosphate and preparation method thereof 东华大学 2018-01-09 CN disclosed
CN-107459492-A A kind of organically-modified melamine polyphosphate and preparation method thereof 东华大学 2017-12-12 CN disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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 (2 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC HSD17B1 1662/4885GABRA1 3814/4885GABRB2 4152/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC HSD17B1 1662/4885GABRA1 3814/4885GABRB2 4152/4885

“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.