SCHEMBL17817660

SCHEMBL17817660

CCCCCCCCCCCCN(C)CCCN1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ S1PR2 O95136 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38

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
Trimethylammonium SCHEMBL28486089 0.86 ALOX5 (0.47) ALOX5TSHRPIK3CDGAAKMT2A
SCHEMBL6012088 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A
SCHEMBL430004 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A
SCHEMBL297738 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A
SCHEMBL297935 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A
SCHEMBL705126 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A
SCHEMBL707139 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A
SCHEMBL37427 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A
SCHEMBL7895656 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A
SCHEMBL6575811 0.85 ALOX5 (0.53) ALOX5PIK3CDGAAKMT2ARAB9A

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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 — — 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 CYP1A2 2743/4885ALOX5 1389/4885MALT1 165/4885

“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.

Send feedback