SCHEMBL1728150

SCHEMBL1728150

CCCCCCCCCC(O)CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.50
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
SPHK1 Q9NYA1 1/20 0.43
PSMD14 O00487 2/20 0.43
PLA2G1B P04054 2/20 0.43
MMP2 P08253 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
HSP90AA1 P07900 1/20 0.43
RAD52 P43351 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.42
DNM1 Q05193 3/20 0.42

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
SCHEMBL4590790 1.00 GPR84 (0.50) GPR84FFAR1FFAR4SPHK1PSMD14
SCHEMBL28337820 1.00 GPR84 (0.50) GPR84FFAR1FFAR4SPHK1PSMD14
SCHEMBL2833193 1.00 GPR84 (0.50) GPR84FFAR1FFAR4SPHK1PSMD14
SCHEMBL2837110 1.00 GPR84 (0.50) GPR84FFAR1FFAR4SPHK1PSMD14
SCHEMBL6554066 1.00 GPR84 (0.50) GPR84FFAR1FFAR4SPHK1PSMD14
SCHEMBL6552497 1.00 GPR84 (0.50) GPR84FFAR1FFAR4SPHK1PSMD14
SCHEMBL1728942 1.00 GPR84 (0.50) GPR84FFAR1FFAR4SPHK1PSMD14
SCHEMBL1407661 1.00 GPR84 (0.50) GPR84FFAR1FFAR4SPHK1PSMD14
Hydrochloric Acid SCHEMBL7902387 0.98 GPR84 (0.48) GPR84FFAR1FFAR4SPHK1PSMD14
Hydrochloric Acid SCHEMBL21835998 0.98 GPR84 (0.48) GPR84FFAR1FFAR4SPHK1PSMD14

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
EP-1934234-B1 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF YISSUM RES DEV CO (IL) 2011-11-30 EP claimed
US-20090131366-A1 Use of Amine-Borane Compounds as Anti-Microbial Agents HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2009-05-21 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-20090131366-A1 Use of Amine-Borane Compounds as Anti-Microbial Agents BCAT2, BCAT1, ARG1 GPR84 569/4885FFAR1 964/4885FFAR4 2967/4885

“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.