SCHEMBL17709147

SCHEMBL17709147

COc1ccc2c(c1)OC1(CCN(C(=O)C(C)(C)CO)CC1)CC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.60
ALDH1A1 P00352 7/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 5/20 0.48
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.47
CRHBP P24387 1/20 0.47
HTT P42858 1/20 0.47
CRHR2 Q13324 1/20 0.47
GLA P06280 4/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL17709041 0.88 CYP19A1 (0.47) CYP19A1ALDH1A1CA1CA2CA7
SCHEMBL17709043 0.88 CYP19A1 (0.47) CYP19A1ALDH1A1CA1CA2CA7
SCHEMBL4256584 0.83 CYP19A1 (0.59) CYP19A1ALDH1A1CA1CA2CA7
SCHEMBL4273605 0.80 CYP19A1 (0.59) CYP19A1ALDH1A1CA1CA2CA7
SCHEMBL22446360 0.80 CYP19A1 (0.60) CYP19A1ALDH1A1CA1CA2CA7
SCHEMBL17709170 0.80 CYP19A1 (0.40) CYP19A1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL620043 0.77 KDM4E (0.59) CYP19A1ALDH1A1CA1CA2CA7
SCHEMBL11106592 0.76 KDM4E (0.57) CYP19A1ALDH1A1CA1CA2CA7
SCHEMBL31260252 0.76 KDM4E (0.57) CYP19A1ALDH1A1CA1CA2CA7
SCHEMBL4258170 0.75 KMT2A (0.57) CYP19A1ALDH1A1CA1CA2CA7

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 CYP19A1 994/4885ALDH1A1 3588/4885CA1 2862/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CYP19A1 994/4885ALDH1A1 3588/4885CA1 2862/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CYP19A1 994/4885ALDH1A1 3588/4885CA1 2862/4885

“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.