SCHEMBL17909511

SCHEMBL17909511

CCCCC(CC)COCCOCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP14 P50281 1/20 0.55
TSHR P16473 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
ATM Q13315 1/20 0.51
PLA2G2C Q5R387 1/20 0.46
CA2 P00918 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.42
AKR1B1 P15121 1/20 0.41
RECQL P46063 1/20 0.40
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
GPR84 Q9NQS5 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
FFAR4 Q5NUL3 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40

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
SCHEMBL17908801 1.00 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17909449 1.00 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
Adipic Acid SCHEMBL14672589 0.95 CYP3A4 (0.55) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL9478686 0.91 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL26964272 0.89 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL26034704 0.88 CYP3A4 (0.57) CYP3A4MMP9MMP8MMP14TSHR
Adipic Acid SCHEMBL9700310 0.87 TSHR (0.62) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL28323520 0.86 CYP3A4 (0.54) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17909574 0.85 CYP3A4 (0.56) CYP3A4MMP9MMP8MMP14TSHR
SCHEMBL17909428 0.85 CYP3A4 (0.74) CYP3A4MMP9MMP8MMP14TSHR

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-3441382-B1 OXA ACID COMPOUND MORESCO CORP (JP) 2023-08-30 EP disclosed
US-11021430-B2 Oxa acid compound MORESCO CORPORATION (JP) 2021-06-01 US disclosed
US-20190106373-A1 OXA ACID COMPOUND MORESCO CORPORATION (JP) 2019-04-11 US disclosed
EP-3048093-B1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF MORESCO CORP (JP) 2019-02-20 EP disclosed
US-10077229-B2 Ether-containing monoester compound and use thereof MORESCO CORPORATION (JP) 2018-09-18 US disclosed
EP-3048093-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF Moresco Corporation (JP) 2016-07-27 EP disclosed
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF MORESCO CORPORATION (JP) 2016-07-14 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 (4 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-20190106373-A1 OXA ACID COMPOUND OXA1L, ACOX1, ALOX12 CYP3A4 2677/4885MMP9 593/4885MMP8 735/4885
US-10077229-B2 Ether-containing monoester compound and use thereof SFN, CCNE2, HSD3B2 CYP3A4 281/4885MMP9 2704/4885MMP8 3340/4885
US-11021430-B2 Oxa acid compound OXA1L, ACOX1, OLA1 CYP3A4 2117/4885MMP9 361/4885MMP8 547/4885
US-20160200998-A1 ETHER-CONTAINING MONOESTER COMPOUND AND USE THEREOF SFN, CCNE2, MSMO1 CYP3A4 341/4885MMP9 2459/4885MMP8 3343/4885

“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.