SCHEMBL17709166

SCHEMBL17709166

CO/N=C1\CC2(CC(C(=O)OC)C2)Oc2cc(OC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTR2C P28335 1/20 0.37
CYP19A1 P11511 7/20 0.36
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
KLK7 P49862 1/20 0.33
MTNR1A P48039 1/20 0.33
NPC1 O15118 2/20 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
SCHEMBL17709167 1.00 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL17708917 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL17709110 0.73 MAPT (0.42) ALDH1A1KDM4ESMN1; SMN2HTTCYP19A1
SCHEMBL17709043 0.72 CYP19A1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL17709041 0.72 CYP19A1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL619821 0.69 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL619822 0.69 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL10609191 0.68 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL10609186 0.68 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL7830552 0.67 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP

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 5 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
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 ALDH1A1 3588/4885KDM4E 4039/4885SMN1; SMN2 1185/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 ALDH1A1 3588/4885KDM4E 4039/4885SMN1; SMN2 1185/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 ALDH1A1 3588/4885KDM4E 4039/4885SMN1; SMN2 1185/4885

“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.