SCHEMBL17708672

SCHEMBL17708672

CCOC(=O)C1CC(C2CC(N)c3ccccc3O2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3355152 0.81 ALDH1A1 (0.43) TSHRKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL25390853 0.80 ALDH1A1 (0.42) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL17709035 0.76 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL28667096 0.75 ALDH1A1 (0.44) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL28667097 0.75 ALDH1A1 (0.44) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL28669743 0.75 ALDH1A1 (0.44) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL28669744 0.75 ALDH1A1 (0.44) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL28663235 0.73 POLB (0.41) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL28654489 0.73 POLB (0.45) KDM4EALDH1A1KMT2APOLBPKM
SCHEMBL28928279 0.73 POLB (0.45) KDM4EALDH1A1KMT2APOLBPKM

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 8 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
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 TSHR 120/4885KDM4E 4039/4885ALDH1A1 3588/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 TSHR 120/4885KDM4E 4039/4885ALDH1A1 3588/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 TSHR 120/4885KDM4E 4039/4885ALDH1A1 3588/4885

“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.