SCHEMBL17708693

SCHEMBL17708693

CCOC(=O)C1C/C(=N\OC)c2ccc(OC)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAOB P27338 4/20 0.41
PPARG P37231 1/20 0.41
CYP19A1 P11511 7/20 0.40
CYP3A4 P08684 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAPT P10636 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL17708695 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1MAOB
SCHEMBL17709146 0.84 CYP19A1 (0.55) MAOBCYP19A1CYP3A4
SCHEMBL10808822 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1CTDSP1
SCHEMBL7313853 0.73 CYP4F2 (0.60) ALDH1A1MEN1KMT2ATDP1PPARG
SCHEMBL7313848 0.73 CYP4F2 (0.60) ALDH1A1MEN1KMT2ATDP1PPARG
SCHEMBL7313860 0.73 CYP4F2 (0.60) ALDH1A1MEN1KMT2ATDP1PPARG
SCHEMBL3358045 0.72 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL17708758 0.72 CYP19A1 (0.55) MAOBCYP19A1CYP3A4
SCHEMBL17708757 0.72 CYP19A1 (0.55) MAOBCYP19A1CYP3A4
SCHEMBL17708754 0.72 CYP19A1 (0.55) MAOBCYP19A1CYP3A4

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 ALDH1A1 3588/4885MEN1 1408/4885KMT2A 4725/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 ALDH1A1 3588/4885MEN1 1408/4885KMT2A 4725/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 ALDH1A1 3588/4885MEN1 1408/4885KMT2A 4725/4885

“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.