SCHEMBL17708808

SCHEMBL17708808

COc1ccc2c(c1)O[C@@H](c1cccc(C(=O)O)c1)CC2N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.55
CYP19A1 P11511 7/20 0.49
MAOB P27338 1/20 0.45
ABCB1 P08183 1/20 0.45
AR P10275 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL19469601 0.90 CFTR (0.48) CFTRCYP19A1MAOBTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL20957902 0.89 CFTR (0.47) CFTRCYP19A1MAOBTP53SMN1; SMN2
SCHEMBL17708851 0.86 CYP19A1 (0.63) CFTRCYP19A1MAOBABCB1AR
Hydrochloric Acid SCHEMBL17709161 0.85 CYP19A1 (0.62) CFTRCYP19A1MAOBABCB1AR
SCHEMBL17709076 0.83 CFTR (0.49) CFTRCYP19A1MAOBABCB1AR
SCHEMBL17708853 0.81 CFTR (0.46) CFTRCYP19A1MAOBMEN1KMT2A
SCHEMBL17709152 0.80 CFTR (0.49) CFTRCYP19A1MEN1KMT2A
Hydrochloric Acid SCHEMBL17709108 0.80 CFTR (0.45) CFTRCYP19A1MAOBMEN1KMT2A
SCHEMBL17708716 0.79 CYP19A1 (0.49) CYP19A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL19469627 0.78 CFTR (0.58) CFTRCYP19A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN disclosed
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
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
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 CFTR 1/4885CYP19A1 994/4885MAOB 3188/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CFTR 1/4885CYP19A1 994/4885MAOB 3188/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CFTR 1/4885CYP19A1 994/4885MAOB 3188/4885

“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.