SCHEMBL17708917

SCHEMBL17708917

COC(=O)C1CC2(CC(=O)c3ccc(OC)cc3O2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.50
CRHBP P24387 1/20 0.50
HTT P42858 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP19A1 P11511 8/20 0.49
HTR2C P28335 1/20 0.49
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KLK7 P49862 1/20 0.43
MAOB P27338 5/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL17709166 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL17709167 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL620043 0.78 KDM4E (0.59) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL11106592 0.77 KDM4E (0.57) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL31260252 0.77 KDM4E (0.57) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL31260255 0.76 MAOB (0.64) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL224979 0.76 MAOB (0.64) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL17709110 0.76 MAPT (0.42) ALDH1A1KDM4ESMN1; SMN2HTTCYP19A1
SCHEMBL4508454 0.75 KDM4E (0.55) ALDH1A1KDM4ESMN1; SMN2LMNACRHBP
SCHEMBL4273605 0.74 CYP19A1 (0.59) 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 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 3588/4885KDM4E 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.