SCHEMBL17708682

SCHEMBL17708682

CON=C1CC(c2ccc(C(=O)O)cc2)Oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
USP2 O75604 1/20 0.54
MAPT P10636 4/20 0.48
MAOB P27338 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
PLA2G1B P04054 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
AR P10275 2/20 0.47
CYP19A1 P11511 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL17708680 1.00 MEN1 (0.54) MEN1KMT2AUSP2MAPTMAOB
SCHEMBL28516061 0.89 MEN1 (0.53) MEN1KMT2AUSP2MAPTMAOB
SCHEMBL28516062 0.89 MEN1 (0.53) MEN1KMT2AUSP2MAPTMAOB
SCHEMBL28650606 0.80 MEN1 (0.47) MEN1KMT2AUSP2MAPTMAOB
SCHEMBL17709051 0.75 CYP19A1 (0.50) MEN1KMT2AUSP2MAPTMAOB
SCHEMBL17709052 0.75 CYP19A1 (0.50) MEN1KMT2AUSP2MAPTMAOB
SCHEMBL17709048 0.75 CYP19A1 (0.50) MEN1KMT2AUSP2MAPTMAOB
SCHEMBL17708754 0.74 CYP19A1 (0.55) MAOBARCYP19A1CYP3A4ABCB1
SCHEMBL17708758 0.74 CYP19A1 (0.55) MAOBARCYP19A1CYP3A4ABCB1
SCHEMBL17708757 0.74 CYP19A1 (0.55) MAOBARCYP19A1CYP3A4ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 US disclosed
EP-3212189-A1 SUBSTITUTED CHROMANES AND METHOD OF USE AbbVie S.À.R.L. (LU) 2017-09-06 EP disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
WO-2016069757-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE INC. (US) 2016-05-06 WO disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 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 (3 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-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 MEN1 1408/4885KMT2A 4725/4885USP2 4377/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 MEN1 1408/4885KMT2A 4725/4885USP2 4377/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 MEN1 1408/4885KMT2A 4725/4885USP2 4377/4885

“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.