SCHEMBL318299

SCHEMBL318299

COc1c(I)ccc(OC(C)=O)c1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.44
ABCB11 O95342 1/20 0.41
TNFSF11 O14788 1/20 0.41
NR3C1 P04150 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BACE1 P56817 1/20 0.40
TOP1 P11387 1/20 0.40
PTPN1 P18031 1/20 0.40
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 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
SCHEMBL3745577 0.93 TSHR (0.44) MAPK1TSHRABCB11TNFSF11NR3C1
SCHEMBL318040 0.87 TSHR (0.45) MAPK1TSHRABCB11TNFSF11NR3C1
SCHEMBL318039 0.80 TSHR (0.49) MAPK1TSHRTNFSF11NR3C1KDM4E
SCHEMBL151821 0.79 TSHR (0.55) MAPK1TSHRTNFSF11NR3C1KDM4E
SCHEMBL43785 0.78 MAPK1 (0.61) MAPK1TSHRKDM4EALDH1A1CYP3A4
SCHEMBL29385313 0.78 MAPK1 (0.61) MAPK1TSHRKDM4EALDH1A1CYP3A4
SCHEMBL24195886 0.77 KDM4E (0.47) MAPK1TSHRTNFSF11NR3C1KDM4E
Acetic Acid SCHEMBL28559644 0.75 MAPK1 (0.62) MAPK1TSHRKDM4EALDH1A1CYP2C9
Potassium Ion SCHEMBL27764600 0.75 MAPK1 (0.57) MAPK1TSHRKDM4EALDH1A1CYP2C9
SCHEMBL3211185 0.75 MAPK1 (0.35) MAPK1TSHRKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093405-B2 Formation of 18F and 19F fluoroarenes bearing reactive functionalities UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2012-01-10 US disclosed
US-20090286992-A1 FORMATION OF 18F AND 19F FLUOROARENES BEARING REACTIVE FUNCTIONALITIES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-11-19 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-20090286992-A1 FORMATION OF 18F AND 19F FLUOROARENES BEARING REACTIVE FUNCTIONALITIES RARB, RARG, RARA MAPK1 1701/4885TSHR 51/4885ABCB11 3437/4885

“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.