SCHEMBL9987682

SCHEMBL9987682

C[N+]1(CCO)CCCC1.F[B-](F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.42
KDM4E B2RXH2 1/20 0.40
SLC18A3 Q16572 1/20 0.39
TP53 P04637 1/20 0.34
LMNA P02545 4/20 0.34
KMT2A Q03164 2/20 0.34
APOBEC3A P31941 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL3817323 0.90
Hydrochloric Acid SCHEMBL9987512 0.87 BBOX1 (0.50) BBOX1KDM4ESLC18A3TP53LMNA
Bromide SCHEMBL31611905 0.87 BBOX1 (0.46) BBOX1KDM4ESLC18A3TP53LMNA
SCHEMBL1920897 0.87 KDM4E (0.50) BBOX1KDM4ESLC18A3TP53LMNA
SCHEMBL10256521 0.87 KDM4E (0.50) BBOX1KDM4ESLC18A3TP53LMNA
Iodide SCHEMBL25405847 0.87 KDM4E (0.50) BBOX1KDM4ESLC18A3TP53LMNA
Bromide SCHEMBL338899 0.85 KDM4E (0.48) BBOX1KDM4ESLC18A3TP53LMNA
Iodide SCHEMBL14778907 0.85 KDM4E (0.54) BBOX1KDM4ESLC18A3TP53LMNA
Hydrochloric Acid SCHEMBL6420390 0.85 BBOX1 (0.48) BBOX1KDM4ESLC18A3TP53LMNA
SCHEMBL25557911 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150337196-A1 METHOD FOR INHIBITING STRUCTURE II GAS HYDRATE FORMATION KOREA ENERGY RESEARCH INST (KR) 2015-11-26 US claimed
US-8961656-B2 Gas hydrate inhibitor and method of inhibiting gas hydrate formation KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2015-02-24 US claimed
US-20130112923-A1 Composition and Method for Inhibiting Gas Hydrate Formation KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2013-05-09 US claimed
US-20110319682-A1 Gas Hydrate Inhibitor and Method of Inhibiting Gas Hydrate Formation KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2011-12-29 US claimed
US-10202538-B2 Method for inhibiting structure II gas hydrate formation KOREA INST ENERGY RES (KR) 2019-02-12 US disclosed
US-9228075-B2 Composition and method for inhibiting gas hydrate formation KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2016-01-05 US disclosed
US-20150337196-A1 METHOD FOR INHIBITING STRUCTURE II GAS HYDRATE FORMATION KOREA ENERGY RESEARCH INST (KR) 2015-11-26 US disclosed
US-8961656-B2 Gas hydrate inhibitor and method of inhibiting gas hydrate formation KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2015-02-24 US disclosed
US-20130112923-A1 Composition and Method for Inhibiting Gas Hydrate Formation KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2013-05-09 US disclosed
US-20110319682-A1 Gas Hydrate Inhibitor and Method of Inhibiting Gas Hydrate Formation KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2011-12-29 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-20110319682-A1 Gas Hydrate Inhibitor and Method of Inhibiting Gas Hydrate Formation HDHD5, AQP1, API5 BBOX1 2554/4885KDM4E 3962/4885SLC18A3 2600/4885

“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.