SCHEMBL21055680

SCHEMBL21055680

C/C(=C\Cc1cc(O)c(Br)cc1O)CCCC(C)(C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.58
CYP1B1 Q16678 1/20 0.58
ELANE P08246 5/20 0.38
IMPDH2 P12268 1/20 0.36
BACE1 P56817 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 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
SCHEMBL21055687 1.00 CYP1A1 (0.58) CYP1A1CYP1B1ELANEIMPDH2BACE1
SCHEMBL30849922 1.00 CYP1A1 (0.58) CYP1A1CYP1B1ELANEIMPDH2BACE1
Cymopol SCHEMBL21055681 0.77 BACE1 (0.52) BACE1OSBPPTPN1
Cymopol SCHEMBL29378158 0.77 BACE1 (0.52) BACE1OSBPPTPN1
Cymopol SCHEMBL8649278 0.77 BACE1 (0.52) BACE1OSBPPTPN1
SCHEMBL23169734 0.76 CYP1A1 (0.40) CYP1A1CYP1B1ELANEBACE1MEN1
SCHEMBL23169668 0.74 ELANE (0.41) CYP1A1CYP1B1ELANEMEN1KMT2A
SCHEMBL29405262 0.74 CYP1A1 (1.00) CYP1A1CYP1B1ELANEBACE1MEN1
SCHEMBL10600948 0.67 CYP1A1 (0.37) CYP1A1CYP1B1ELANEPTPN1
SCHEMBL10600941 0.67 CYP1A1 (0.37) CYP1A1CYP1B1ELANEPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226211-A9 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US claimed
US-20240131097-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-04-25 US claimed
US-20210161980-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 US claimed
WO-2019113383-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INCORPORATED (US) 2019-06-13 WO claimed
US-20240226211-A9 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240226211-A9 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240226211-A9 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240131097-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-04-25 US disclosed
US-20210161980-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 US disclosed
US-20210161980-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 US disclosed
WO-2019113383-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INCORPORATED (US) 2019-06-13 WO disclosed
WO-2019113383-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INCORPORATED (US) 2019-06-13 WO 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 (3 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-20240131097-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT KEAP1, NFE2L2, TFEB CYP1A1 3281/4885CYP1B1 3403/4885ELANE 1102/4885
US-20210161980-A1 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT KEAP1, NFE2L2, TFEB CYP1A1 3281/4885CYP1B1 3403/4885ELANE 1102/4885
US-20240226211-A9 SEAWEED EXTRACTS, ISOLATED COMPOUNDS, AND METHODS OF TREATMENT KEAP1, NFE2L2, TFEB CYP1A1 3281/4885CYP1B1 3403/4885ELANE 1102/4885

“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.