SCHEMBL17318445

SCHEMBL17318445

COc1cc(CC2CCCC2C(=O)O)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 3/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
SCHEMBL19051220 0.92 CA1 (0.41) CA1CA2CA9CA12KDM4E
SCHEMBL3165178 0.83 GRM2 (0.50) CA1CA2CA9CA12LMNA
SCHEMBL17318441 0.83 CA1 (0.49) CA1CA2CA9CA12KDM4E
SCHEMBL19051228 0.78 CA1 (0.46) CA1CA2CA9CA12KDM4E
SCHEMBL17318400 0.78 SCN9A (0.46) ALDH1A1KMT2A
SCHEMBL17318470 0.78 MMP13 (0.47) ALDH1A1TSHRKMT2A
SCHEMBL17318395 0.75 MMP13 (0.47) ALDH1A1KMT2A
SCHEMBL17326791 0.75 SMN1; SMN2 (0.46) ALDH1A1KMT2A
SCHEMBL17326790 0.75 SMN1; SMN2 (0.46) ALDH1A1KMT2A
SCHEMBL17318401 0.75 SMN1; SMN2 (0.46) ALDH1A1KMT2A

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 CA1 4548/4885CA2 4606/4885CA9 4848/4885
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 CA1 4605/4885CA2 4666/4885CA9 4867/4885
US-20180170858-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 CA1 4605/4885CA2 4666/4885CA9 4867/4885

“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.