SCHEMBL20928535

SCHEMBL20928535

CCCCCOc1ccc(-c2ccc(-c3ccc(OC)cc3OCCCCN)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.46
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ RARB P10826 3/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ PTPN11 Q06124 2/20 0.42
▸ AHR P35869 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ NR5A1 Q13285 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30504169 1.00 SYK (0.46) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL20928525 0.99 SYK (0.45) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL30504178 0.99 SYK (0.45) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL30504175 0.99 SYK (0.45) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL20928526 0.99 SYK (0.45) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL20928528 0.97 SYK (0.46) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL30745239 0.97 SYK (0.46) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL30504170 0.95 SYK (0.46) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL20928544 0.95 SYK (0.46) SYKCYP11B1CYP11B2RARBCYP3A4
SCHEMBL25853064 0.93 PTPN11 (0.47) RARBCYP3A4CYP2D6PTPN11NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891558-B2 Solid foam comprising mesogenic ligand-functionalized nanoparticles and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-06 — — US disclosed
US-11708530-B2 Organic ligands for templatable mesoscale nanocapsules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 — — US disclosed
US-11708530-B2 Organic ligands for templatable mesoscale nanocapsules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 — — US disclosed
US-20210179939-A1 Organic Ligands For Templatable Mesoscale Nanocapsules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-06-17 — — US disclosed
US-20210179939-A1 Organic Ligands For Templatable Mesoscale Nanocapsules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-06-17 — — US disclosed
US-20200239781-A1 Solid Foam Comprising Mesogenic Ligand-Functionalized Nanoparticles and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 — — US disclosed
US-20200239781-A1 Solid Foam Comprising Mesogenic Ligand-Functionalized Nanoparticles and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 — — US disclosed
WO-2019079507-A1 SOLID FOAM COMPRISING MESOGENIC LIGAND-FUNCTIONALIZED NANOPARTICLES AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-25 — — 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 (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-20210179939-A1 Organic Ligands For Templatable Mesoscale Nanocapsules EPCAM, L1CAM, ICOSLG SYK 1626/4885CYP11B1 4696/4885CYP11B2 4685/4885
US-11708530-B2 Organic ligands for templatable mesoscale nanocapsules EPCAM, L1CAM, ICOSLG SYK 1626/4885CYP11B1 4696/4885CYP11B2 4685/4885

“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.

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