SCHEMBL8319170

SCHEMBL8319170

COCC(CC(C)=O)OC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL10024040 1.00 ALDH1A1 (0.40) ALDH1A1TDP1CYP2C9TSHRMGAM
SCHEMBL10024027 0.89 ALDH1A1 (0.36) ALDH1A1TDP1CYP2C9TSHRMGAM
SCHEMBL1772274 0.83
SCHEMBL10024039 0.83 MGAM (0.38) ALDH1A1TDP1MGAMGAASI
SCHEMBL10024033 0.81 ALDH1A1 (0.33) ALDH1A1TDP1CYP2C9TSHR
SCHEMBL10024038 0.81 ALDH1A1 (0.33) ALDH1A1TDP1CYP2C9TSHR
SCHEMBL14520412 0.81 MMP12 (0.42) ALDH1A1TDP1CYP2C9TSHR
SCHEMBL4630523 0.81 MMP12 (0.42) ALDH1A1TDP1CYP2C9TSHR
SCHEMBL14633169 0.79 L3MBTL1 (0.32) ALDH1A1
SCHEMBL31571289 0.79 TSHR (0.40) ALDH1A1TSHRMGAMGAASI

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
US-20150056181-A1 NANOCARRIERS WITH MULTI-PHOTON RESPONSE ELEMENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
EP-0916664-A1 Enynes used in the synthesis of antifungal agents Glaxo Wellcome, S.A. (ES) 1999-05-19 EP disclosed
EP-0570197-B1 Hydroxylamine derivatives ZENECA LTD (GB) 1995-12-13 EP disclosed
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO disclosed
US-5453439-A Antiinflammatory agent, antiallergen; lipoxygenase inhibitor ZENECA LIMITED (GB) 1995-09-26 US disclosed
US-5334614-A Lipoxygenase inhibitor ZENECA LTD. (GB) 1994-08-02 US disclosed
EP-0570197-A1 Hydroxylamine derivatives ZENECA LIMITED (GB) 1993-11-18 EP disclosed
EP-0555067-A1 Hydroxylamine derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP 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 (1 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-20150056181-A1 NANOCARRIERS WITH MULTI-PHOTON RESPONSE ELEMENTS LRBA, PICALM, IPMK ALDH1A1 4769/4885TDP1 476/4885CYP2C9 4464/4885

“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.