SCHEMBL17318449

SCHEMBL17318449

COC(=O)C1=C(Cc2cc(OC)cc(OC)c2)C2CCC1C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.44
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A4 P31645 1/20 0.38
STAT1 P42224 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP3A4 P08684 2/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 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
SCHEMBL19051221 0.92 SLC6A3 (0.43) SLC6A3KDM4ELMNATSHRALDH1A1
SCHEMBL17318414 0.87 KDM4E (0.42) KDM4ELMNATSHRALDH1A1L3MBTL1
SCHEMBL19051227 0.80 KDM4E (0.37) SLC6A3KDM4ELMNATSHRALDH1A1
SCHEMBL17318443 0.77 MMP13 (0.52) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL20285816 0.75 RAB9A (0.45) ALDH1A1L3MBTL1CYP3A4
SCHEMBL19051233 0.72 MMP13 (0.48) ALDH1A1MEN1KMT2AGAA
SCHEMBL10397228 0.71 SLC6A3 (0.44) SLC6A3SLC6A4
SCHEMBL2286519 0.71 SLC6A3 (0.56) SLC6A3KDM4ELMNATSHRALDH1A1
SCHEMBL17318376 0.66 SLC6A3 (0.44) SLC6A3KDM4ELMNATSHRALDH1A1
SCHEMBL5252553 0.65 ALDH1A1 (0.65) TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407382-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2019-09-10 US disclosed
US-10407382-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2019-09-10 US disclosed
EP-3152188-B1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2019-02-13 EP disclosed
EP-3152188-B1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2019-02-13 EP disclosed
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2018-06-21 US disclosed
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2018-06-21 US disclosed
US-9926262-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2018-03-27 US disclosed
US-9926262-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2018-03-27 US disclosed
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2017-06-29 US disclosed
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2017-06-29 US disclosed
EP-3152188-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2017-04-12 EP disclosed
WO-2015188152-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2015-12-10 WO disclosed
WO-2015188152-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2015-12-10 WO 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-10407382-B2 EP4 agonists as therapeutic compounds PTGER4, PTGER1, PTGER3 SLC6A3 3757/4885KDM4E 1756/4885LMNA 2795/4885
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 SLC6A3 3487/4885KDM4E 1549/4885LMNA 3396/4885
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 SLC6A3 3487/4885KDM4E 1549/4885LMNA 3396/4885

“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.