SCHEMBL6488249

SCHEMBL6488249

CCCCCCCCCCCCCCNCC(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
EPHX1 P07099 7/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
S1PR2 O95136 5/20 0.37
S1PR4 O95977 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR5 Q9H228 1/20 0.37
LMNA P02545 1/20 0.33
THRB P10828 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
SCHEMBL28353996 1.00 TSHR (0.48) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL24307673 0.98 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL11195659 0.91 TSHR (0.44) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL1668578 0.81 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL1532449 0.81 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL10495800 0.81 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL987948 0.81 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL27630548 0.80 ANPEP (0.46) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL8116246 0.80 ANPEP (0.46) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL27867243 0.80 ANPEP (0.46) TSHRALDH1A1ANPEPERAP2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II YANG JI CHEMICAL COMPANY LTD. (KR) 2005-04-07 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 (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-20050075345-A1 Novel inhibitor compounds specific of secreted non-pancreatic human a<sb>2</sb>phospholipase of group II AMY2A, PNLIP, IAPP TSHR 1834/4885ALDH1A1 3782/4885ANPEP 139/4885

“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.