SCHEMBL21532820

SCHEMBL21532820

C=C/N=C\C(=C/C)C(C)CCCCCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
ACE2 Q9BYF1 1/20 0.36
FDPS P14324 4/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
LAP3 P28838 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
OPRM1 P35372 1/20 0.32
TSHR P16473 1/20 0.32
GPR84 Q9NQS5 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
SCHEMBL21160913 0.79 CA1 (0.36) CA1ACE2FDPSSPHK1LMNA
SCHEMBL19788315 0.77 CA2 (0.35) FDPSSPHK1LMNALAP3FFAR1
SCHEMBL26457162 0.76 CA2 (0.38) LMNALAP3
SCHEMBL26347301 0.74 LAP3 (0.33) FDPSSPHK1LMNALAP3
SCHEMBL25941209 0.73 CA2 (0.35) CA1
SCHEMBL24978535 0.72 ACE2 (0.37) CA1ACE2FDPSSPHK1LMNA
SCHEMBL18927449 0.72 CA1 (0.36) CA1FDPSTSHR
SCHEMBL26729197 0.71 CA2 (0.36) FDPSSPHK1LMNALAP3FFAR4
SCHEMBL22623298 0.70 LMNA (0.40) FDPSSPHK1LMNALAP3FFAR1
SCHEMBL26457178 0.70 CA2 (0.39) FDPSLMNALAP3FFAR4FFAR1

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-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 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 (2 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-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 CA1 2741/4885ACE2 2593/4885FDPS 604/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 CA1 2741/4885ACE2 2593/4885FDPS 604/4885

“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.