SCHEMBL18299258

SCHEMBL18299258

CCOC(=O)/C=C1/CCN(C(=O)O)CC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MDM2 Q00987 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CTDSP1 Q9GZU7 3/20 0.33
BCHE P06276 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL18299260 1.00 ESR2 (0.36) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL30262299 0.91 ALDH1A1 (0.40) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL18301302 0.91 ALDH1A1 (0.40) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL18301301 0.91 ALDH1A1 (0.40) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL9214260 0.88 CHRNB2 (0.35) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL9214264 0.88 CHRNB2 (0.35) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL4460095 0.84 ESR2 (0.36) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL3134671 0.84 ESR2 (0.36) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL4460100 0.84 ESR2 (0.36) ESR2ALDH1A1HPGDRECQLHSD17B10
SCHEMBL18044501 0.84 ADORA1 (0.41) ESR2ALDH1A1HPGDRECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO 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 (5 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ESR2 37/4885ALDH1A1 940/4885HPGD 535/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 ESR2 37/4885ALDH1A1 940/4885HPGD 535/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ESR2 37/4885ALDH1A1 940/4885HPGD 535/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ESR2 37/4885ALDH1A1 940/4885HPGD 535/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ESR2 37/4885ALDH1A1 940/4885HPGD 535/4885

“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.